Geometry & MOs

Info

ID:	222188
PubChem CID:	85295110
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	0.62
IP(EA), eV:	-9.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hept-2-enyl-6-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

COC(=O)CC(C=C)C1=CC(=CC=C1)F

DOS

IR

Vibrations