Geometry & MOs

Info

ID:	48861
PubChem CID:	11528409
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	1.76
IP(EA), eV:	-8.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dihydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1[14CH2]C2=C(C=C(C=C2)O)NC1=O

DOS

IR

Vibrations