Geometry & MOs

Info

ID:	407982
PubChem CID:	135080737
Reduced:	PCl2O3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	182.049843
ΔH_f, kcal/mol:	-194.02
Dipole, Da:	1.97
IP(EA), eV:	-9.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-chlorophenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

CCCOP(=O)(/C(=C\Cl)/Cl)OCCC

DOS

IR

Vibrations