Geometry & MOs

Info

ID:	322209
PubChem CID:	126669219
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	7.17
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CN(C(=O)[C@H]2NC(=O)NC3=CC=C(C=C3)Cl)CCO

DOS

IR

Vibrations