Geometry & MOs

Info

ID:	89434
PubChem CID:	49961664
Reduced:	O2N5H7C10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	118.64
Dipole, Da:	8.4
IP(EA), eV:	-9.76(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NN=C(C#N)C#N

DOS

IR

Vibrations