Geometry & MOs

Info

ID:	252776
PubChem CID:	103114040
Reduced:	ON3C6H11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	1.65
IP(EA), eV:	-9.2(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC(=NC(=N1)NC)OCC

DOS

IR

Vibrations