Geometry & MOs

Info

ID:	199045
PubChem CID:	79190586
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	2.59
IP(EA), eV:	-8.83(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-methylcyclohexyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)CC1=CC(=CC=C1)OC)C

DOS

IR

Vibrations