Geometry & MOs

Info

ID:	205828
PubChem CID:	80163503
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	29.02
Dipole, Da:	8.55
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)CNC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations