Geometry & MOs

Info

ID:	29060
PubChem CID:	831374
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	56.01
Dipole, Da:	4.81
IP(EA), eV:	-8.95(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C3=CC=CC=C31)NC(=O)CC#N

DOS

IR

Vibrations