Geometry & MOs

Info

ID:	205830
PubChem CID:	80163505
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	6.9
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyethoxy)ethyl]-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations