Geometry & MOs

Info

ID:	177691
PubChem CID:	76218049
Reduced:	NO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	3.86
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C2=O)CC(=CC(=O)O)C

DOS

IR

Vibrations