Geometry & MOs

Info

ID:	395321
PubChem CID:	135025195
Reduced:	NOF3C7H10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	176.01042
ΔH_f, kcal/mol:	-218.89
Dipole, Da:	1.32
IP(EA), eV:	-9.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methylcyclohexane-1-selone

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)C(F)(F)F

DOS

IR

Vibrations