Geometry & MOs

Info

ID:	220774
PubChem CID:	85239322
Reduced:	ClO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	4.05
IP(EA), eV:	-9.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-phenylprop-2-enyl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC(=CC=O)CCCCCCCCCl

DOS

IR

Vibrations