Geometry & MOs

Info

ID:	72240
PubChem CID:	48415959
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	8.78
Dipole, Da:	7.84
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations