Geometry & MOs

Info

ID:	144442
PubChem CID:	53368813
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	392.02727
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	4.72
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)Cl)CC3=C(C(=O)C=C(O3)CO)O

DOS

IR

Vibrations