Geometry & MOs

Info

ID:	374625
PubChem CID:	131342045
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-30.82
Dipole, Da:	1.97
IP(EA), eV:	-9.11(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpentan-2-yl)cyclohex-3-en-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C)C1=CCC(CC1)N

DOS

IR

Vibrations