Geometry & MOs

Info

ID:	4531
PubChem CID:	11567
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-65.66
Dipole, Da:	3.61
IP(EA), eV:	-9.86(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CCCC(=O)C1

DOS

IR

Vibrations