Geometry & MOs

Info

ID:	30870
PubChem CID:	842085
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	5.71
IP(EA), eV:	-9.36(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H](C1)C(=O)NC2CCCC2)C(=O)O)C

DOS

IR

Vibrations