Geometry & MOs

Info

ID:	441227
PubChem CID:	135233728
Reduced:	O2N7C24H37 (1)
Stoich.:	A2B7C24D37 (1)
Weight, g/mol:	638.272199
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	3.85
IP(EA), eV:	-8.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(3,5-diphenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)C2=NC=CN2C)C3=NC(=C(C=C3)NCC(C)(C)C)N(C)N=O)C

DOS

IR

Vibrations