Geometry & MOs

Info

ID:	448560
PubChem CID:	135291859
Reduced:	O6N7C20H31 (1)
Stoich.:	A6B7C20D31 (1)
Weight, g/mol:	404.225249
ΔH_f, kcal/mol:	-225.82
Dipole, Da:	8.46
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole

Drug info:

PubChemData

Smile

C/C(=C(\NCC(CNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)N)/NC(N)N)/C=O

DOS

IR

Vibrations