Geometry & MOs

Info

ID:	205416
PubChem CID:	80096816
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	5.11
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-3-(3-hydroxyphenyl)propan-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C2=CC=C(C3=CC=CC=C32)OC)O

DOS

IR

Vibrations