Geometry & MOs

Info

ID:	251711
PubChem CID:	103106222
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-157.66
Dipole, Da:	2.56
IP(EA), eV:	-10.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-methyl-2-oxopyrrolidin-3-yl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(COC(C)C)O)C(=O)OCC

DOS

IR

Vibrations