Geometry & MOs

Info

ID:	408313
PubChem CID:	135081078
Reduced:	NO2C6H6F7 (1)
Stoich.:	AB2C6D6E7 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-448.47
Dipole, Da:	3.88
IP(EA), eV:	-10.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-ethoxycarbonylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C([C@@H](C(C(C(F)(F)F)(F)F)(F)F)N)C(=O)O

DOS

IR

Vibrations