Geometry & MOs

Info

ID:	48953
PubChem CID:	11528516
Reduced:	ClNF2O2H4C6 (1)
Stoich.:	ABC2D2E4F6 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-153.72
Dipole, Da:	5.06
IP(EA), eV:	-10.86(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S)-6-acetyl-3-methylcyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C(=O)Cl)C(F)F

DOS

IR

Vibrations