Geometry & MOs

Info

ID:	398957
PubChem CID:	135036593
Reduced:	ClO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	131.04969
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	4.3
IP(EA), eV:	-10.17(0.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](OC1)Cl)O

DOS

IR

Vibrations