Geometry & MOs

Info

ID:	412708
PubChem CID:	135085622
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	2.29
IP(EA), eV:	-10.0(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-propan-2-ylphenyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)C/C=C/C(C)OC(=O)C

DOS

IR

Vibrations