Geometry & MOs

Info

ID:	264285
PubChem CID:	103450592
Reduced:	IOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-4-methylcyclohexyl)-2-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CCC=C(CC1)C(=O)CC2=CC=C(C=C2)I

DOS

IR

Vibrations