Geometry & MOs

Info

ID:	10192
PubChem CID:	98742
Reduced:	ClOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	210.081143
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	3.66
IP(EA), eV:	-9.45(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(3,4-dimethylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCCCl)C

DOS

IR

Vibrations