Geometry & MOs

Info

ID:	53427
PubChem CID:	14715909
Reduced:	FO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	330.16198
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	4.96
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C(CC2=CC(=CC=C2)OC)C3=CC=CC=C3)F

DOS

IR

Vibrations