Geometry & MOs

Info

ID:	23879
PubChem CID:	606984
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	5.69
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,6-trimethoxyphenyl)butan-2-one

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1OC)OC)OC)C(=O)C

DOS

IR

Vibrations