Geometry & MOs

Info

ID:	8868
PubChem CID:	82706
Reduced:	OC15H28 (1)
Stoich.:	AB15C28 (1)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	3.12
IP(EA), eV:	-9.91(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)C(C)(C)CC(=O)C

DOS

IR

Vibrations