Geometry & MOs

Info

ID:	72100
PubChem CID:	48415812
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	341.12949
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	3.06
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations