Geometry & MOs

Info

ID:	406559
PubChem CID:	135078035
Reduced:	CdC2F5 (1)
Stoich.:	AB2C5 (1)
Weight, g/mol:	234.05782
ΔH_f, kcal/mol:	-216.94
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754633
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1,4-dichloro-1-cyclohexylpent-1-en-3-one

Drug info:

PubChemData

Smile

[C-](C(F)(F)F)(F)F.[Cd]

DOS

IR

Vibrations