Geometry & MOs

Info

ID:	10104
PubChem CID:	97443
Reduced:	O2H3N3C8 (1)
Stoich.:	A2B3C3D8 (1)
Weight, g/mol:	173.022526
ΔH_f, kcal/mol:	90.09
Dipole, Da:	2.97
IP(EA), eV:	-11.44(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrobenzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations