Geometry & MOs

Info

ID:	22542
PubChem CID:	597608
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	3.92
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4,6-trihydroxy-3-methylphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)C1=C(C=C(C(=C1O)C)O)O

DOS

IR

Vibrations