Geometry & MOs

Info

ID:	28757
PubChem CID:	829373
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	346.004261
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	3.87
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(=O)C2=CN=CC=C2

DOS

IR

Vibrations