Geometry & MOs

Info

ID:	85851
PubChem CID:	49879735
Reduced:	ClN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	388.03236
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	4.08
IP(EA), eV:	-8.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-bromophenyl)pyrrol-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)CC=C)/C=C(/C#N)\C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations