Geometry & MOs

Info

ID:	138525
PubChem CID:	52379734
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	5.97
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations