Geometry & MOs

Info

ID:	28109
PubChem CID:	825603
Reduced:	SN2H14C19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	283.053069
ΔH_f, kcal/mol:	118.75
Dipole, Da:	2.56
IP(EA), eV:	-8.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)N=CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations