Geometry & MOs

Info

ID:	30868
PubChem CID:	842079
Reduced:	ON2Cl4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	3.16
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)NC1=CC=CC=C1Cl

DOS

IR

Vibrations