Geometry & MOs

Info

ID:	19196
PubChem CID:	557476
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	3.27
IP(EA), eV:	-9.83(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(2-oxopropyl)-3-propan-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CCC(C(C1=O)CC(=O)C)C(C)C

DOS

IR

Vibrations