Geometry & MOs

Info

ID:	30520
PubChem CID:	841444
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	8.31
IP(EA), eV:	-9.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)O)C

DOS

IR

Vibrations