Geometry & MOs

Info

ID:	5614
PubChem CID:	13398
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	3.71
IP(EA), eV:	-9.81(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,5-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC(=O)CC(C1)(C)C

DOS

IR

Vibrations