Geometry & MOs

Info

ID:	269781
PubChem CID:	103619015
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	3.15
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(pyridine-3-carbonyl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=NC=CN=C1)N

DOS

IR

Vibrations