Geometry & MOs

Info

ID:	245859
PubChem CID:	103024638
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-75.38
Dipole, Da:	1.79
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-5-methoxy-5-methylhexan-2-one

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)C1=CC=CS1)OC

DOS

IR

Vibrations