Geometry & MOs

Info

ID:	10328
PubChem CID:	100499
Reduced:	N5O6C17H17 (1)
Stoich.:	A5B6C17D17 (1)
Weight, g/mol:	387.117883
ΔH_f, kcal/mol:	32.29
Dipole, Da:	5.02
IP(EA), eV:	-8.56(-2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-dimethoxyphenyl)ethylimino]-N,N-dihydroxy-7-nitrobenzimidazol-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN=C2C(=CC3=NC=NC3=C2[N+](=O)[O-])N(O)O)OC

DOS

IR

Vibrations