Geometry & MOs

Info

ID:	251647
PubChem CID:	103105608
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	5.2
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C)C2=CC=CC=C2OC

DOS

IR

Vibrations