Geometry & MOs

Info

ID:	428726
PubChem CID:	135168040
Reduced:	NH24C38 (2)
Stoich.:	AB24C38 (2)
Weight, g/mol:	1014.3974
ΔH_f, kcal/mol:	336.99
Dipole, Da:	0.94
IP(EA), eV:	-7.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):