Geometry & MOs

Info

ID:	399137
PubChem CID:	135038097
Reduced:	INOF3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	183.102119
ΔH_f, kcal/mol:	-158.8
Dipole, Da:	7.04
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (4S)-4,5-dimethyl-2-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)NC2=C(C=C(C=C2)C(F)(F)F)I

DOS

IR

Vibrations