Geometry & MOs

Info

ID:	251706
PubChem CID:	103106176
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	7.23
IP(EA), eV:	-9.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CN(N=C2)C)C(=O)OCC

DOS

IR

Vibrations