Geometry & MOs

Info

ID:	428690
PubChem CID:	135167941
Reduced:	NH24C38 (2)
Stoich.:	AB24C38 (2)
Weight, g/mol:	938.366099
ΔH_f, kcal/mol:	343.26
Dipole, Da:	0.9
IP(EA), eV:	-7.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)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

C=CC1=C2C3=CC=CC=C3C4(C2=CC=C1)C5=CC=CC=C5C6=C4C=C(C=C6)N(C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1C1=CC=C(C=C1)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

C=CC1=C2C3=CC=CC=C3C4(C2=CC=C1)C5=CC=CC=C5C6=C4C=C(C=C6)N(C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1C1=CC=C(C=C1)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

C=CC1=C2C3=CC=CC=C3C4(C2=CC=C1)C5=CC=CC=C5C6=C4C=C(C=C6)N(C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):