Geometry & MOs

Info

ID:	20399
PubChem CID:	583728
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	3.11
IP(EA), eV:	-9.35(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C(C)C)C

DOS

IR

Vibrations