Geometry & MOs

Info

ID:	9466
PubChem CID:	89765
Reduced:	H4N4O4C7 (1)
Stoich.:	A4B4C4D7 (1)
Weight, g/mol:	208.023255
ΔH_f, kcal/mol:	41.42
Dipole, Da:	4.08
IP(EA), eV:	-10.52(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,5-dinitrobenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations