Geometry & MOs

Info

ID:	48092
PubChem CID:	10537110
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	11.67
Dipole, Da:	0.45
IP(EA), eV:	-8.5(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-2-pentylcyclohexane-1,4-dione

Drug info:

PubChemData

Smile

CN[C@@H](CN1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations