Geometry & MOs

Info

ID:	27343
PubChem CID:	820814
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-62.85
Dipole, Da:	7.79
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=O)OC2=CC=CC=C21

DOS

IR

Vibrations