Geometry & MOs

Info

ID:	89431
PubChem CID:	49961658
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	8.1
IP(EA), eV:	-8.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-[(2,4,6-trimethylphenyl)hydrazinylidene]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N/N=C(/C#N)\C(=O)OC

DOS

IR

Vibrations