Geometry & MOs

Info

ID:	445037
PubChem CID:	135264349
Reduced:	N3H27C35 (1)
Stoich.:	A3B27C35 (1)
Weight, g/mol:	437.189198
ΔH_f, kcal/mol:	208.42
Dipole, Da:	2.6
IP(EA), eV:	-8.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-cyclohexa-2,4-dien-1-yl-3-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C=C/C=C\C1=CC(=CN=C1)/C(=C/C=C/N2C=CC3=C2C4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)/C=C

DOS

IR

Vibrations