Geometry & MOs

Info

ID:	72141
PubChem CID:	48415855
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	419.04946
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	0.83
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations