Geometry & MOs

Info

ID:	71989
PubChem CID:	48415691
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	8.42
IP(EA), eV:	-8.36(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-bromophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations