Geometry & MOs

Info

ID:	397831
PubChem CID:	135030805
Reduced:	O3C11H11 (1)
Stoich.:	A3B11C11 (1)
Weight, g/mol:	250.01635
ΔH_f, kcal/mol:	-70.47
Dipole, Da:	3.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768507
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-6,6-dimethoxy-4,5-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[CH]C(=O)C1=CC=CC=C1

DOS

IR

Vibrations