Geometry & MOs

Info

ID:	408272
PubChem CID:	135081036
Reduced:	ClNPO4C8H17 (1)
Stoich.:	ABCD4E8F17 (1)
Weight, g/mol:	234.086764
ΔH_f, kcal/mol:	-237.36
Dipole, Da:	5.27
IP(EA), eV:	-8.82(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-(cyclohexen-1-yl)prop-1-enyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C\NCCO)/Cl)OCC

DOS

IR

Vibrations