Geometry & MOs

Info

ID:	30517
PubChem CID:	841441
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	8.73
IP(EA), eV:	-10.21(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCC(=O)O

DOS

IR

Vibrations