Geometry & MOs

Info

ID:	30875
PubChem CID:	842092
Reduced:	N2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	1.89
IP(EA), eV:	-9.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CN=CC=C3

DOS

IR

Vibrations