Geometry & MOs

Info

ID:	6868
PubChem CID:	70312
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	2.79
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dihydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)O)O

DOS

IR

Vibrations