Geometry & MOs

Info

ID:	124550
PubChem CID:	50887215
Reduced:	N2O5H20C27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	317.087252
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	8.53
IP(EA), eV:	-9.57(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-(5-cyano-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4)C#N

DOS

IR

Vibrations