Geometry & MOs

Info

ID:	264388
PubChem CID:	103458633
Reduced:	OSC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	3.27
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(3-methylcyclohexyl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CC(=O)C=C(CC)CC

DOS

IR

Vibrations