Geometry & MOs

Info

ID:	44348
PubChem CID:	10502986
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	434.118591
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	6.35
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(4-chlorophenyl)-1-phenylbenzimidazol-5-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1CCCCN2C3=CC=CC=C3OC(C2=O)C4=CC(=CC=C4)C(=N)N)C

DOS

IR

Vibrations