Geometry & MOs

Info

ID:	13440
PubChem CID:	232532
Reduced:	OCl5H5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	293.875353
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	4.11
IP(EA), eV:	-10.52(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1(C=C(C(=O)C(=C1)Cl)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations