Geometry & MOs

Info

ID:	216566
PubChem CID:	85086434
Reduced:	O3C7H9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-249.46
Dipole, Da:	5.4
IP(EA), eV:	-10.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-acetyl-2-hydroxyphenyl)-3-hydroxy-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(COC2(C=CC3(C2CC(=O)O3)COC=O)OC1)C

DOS

IR

Vibrations