Geometry & MOs

Info

ID:	213275
PubChem CID:	81063305
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-201.04
Dipole, Da:	5.98
IP(EA), eV:	-9.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)COC1=CC=CC=C1C(=O)N

DOS

IR

Vibrations