Geometry & MOs

Info

ID:	199046
PubChem CID:	79190587
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	228.01087
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	3.14
IP(EA), eV:	-9.41(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)C=C(C)C

DOS

IR

Vibrations