Geometry & MOs

Info

ID:	89432
PubChem CID:	49961662
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	2.45
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NN=C2C(=O)CC(CC2=O)(C)C)C

DOS

IR

Vibrations