Geometry & MOs

Info

ID:	319003
PubChem CID:	126654103
Reduced:	NC2H2 (4)
Stoich.:	AB2C2 (4)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	99.19
Dipole, Da:	2.63
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-2-pyridin-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2C=C(N=N2)N

DOS

IR

Vibrations