Geometry & MOs

Info

ID:	72234
PubChem CID:	48415953
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations