Geometry & MOs

Info

ID:	30891
PubChem CID:	842115
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-168.51
Dipole, Da:	5.85
IP(EA), eV:	-9.43(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H](C1)C(=O)NC2CCCCC2)C(=O)O)C

DOS

IR

Vibrations