Geometry & MOs

Info

ID:	9985
PubChem CID:	95852
Reduced:	OH14C16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	222.104465
ΔH_f, kcal/mol:	20.49
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations