Geometry & MOs

Info

ID:	396025
PubChem CID:	135027215
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	208.05602
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	2.35
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3,3-dideuterio-3-(2,6-dideuterio-4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)-2-oxopropanoate

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations