Geometry & MOs

Info

ID:	205829
PubChem CID:	80163504
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	9.48
IP(EA), eV:	-9.16(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCOCCNC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations