Geometry & MOs

Info

ID:	30892
PubChem CID:	842116
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-167.56
Dipole, Da:	5.69
IP(EA), eV:	-9.34(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-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