Geometry & MOs

Info

ID:	20914
PubChem CID:	586301
Reduced:	OC14H24 (1)
Stoich.:	AB14C24 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-82.2
Dipole, Da:	4.4
IP(EA), eV:	-9.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethyl-3-(3-methylbutyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1=O)(C)C)CCC(C)C

DOS

IR

Vibrations