Geometry & MOs

Info

ID:	23161
PubChem CID:	602547
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-155.57
Dipole, Da:	6.35
IP(EA), eV:	-8.73(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CCC1=C(C=C(C=C1OC)OC)OC

DOS

IR

Vibrations