Geometry & MOs

Info

ID:	428813
PubChem CID:	135168192
Reduced:	NH22C37 (2)
Stoich.:	AB22C37 (2)
Weight, g/mol:	910.334799
ΔH_f, kcal/mol:	328.59
Dipole, Da:	1.0
IP(EA), eV:	-8.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenanthren-9-yl-N-(9,9'-spirobi[fluorene]-4-yl)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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C21

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=C2C(=C1)C3=C(C=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C21

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=C2C(=C1)C3=C(C=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C21

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):