Geometry & MOs

Info

ID:	72107
PubChem CID:	48415819
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	8.16
Dipole, Da:	4.45
IP(EA), eV:	-9.03(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(4-methoxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations