Geometry & MOs

Info

ID:	251552
PubChem CID:	103104835
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	4.02
IP(EA), eV:	-9.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[2-(2-oxopyridin-1-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN(C)C)C

DOS

IR

Vibrations