Geometry & MOs

Info

ID:	387903
PubChem CID:	134987344
Reduced:	NaOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	206.02652
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	9.8
IP(EA), eV:	-7.06(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-chloro-3-[(E)-2-chloroethenyl]-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCCC(=C)[O-].[Na+]

DOS

IR

Vibrations