Geometry & MOs

Info

ID:	252366
PubChem CID:	103110844
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	17.16
Dipole, Da:	6.7
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=CN=CC(=N2)OC

DOS

IR

Vibrations