Geometry & MOs

Info

ID:	8140
PubChem CID:	75097
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-162.06
Dipole, Da:	2.23
IP(EA), eV:	-9.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-acetyl-2,4-dihydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1O)O)C(=O)C

DOS

IR

Vibrations