Geometry & MOs

Info

ID:	793
PubChem CID:	3362
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	182.057909
ΔH_f, kcal/mol:	-170.91
Dipole, Da:	3.37
IP(EA), eV:	-9.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4,6-trihydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(C=C1O)O)O

DOS

IR

Vibrations