Geometry & MOs

Info

ID:	252119
PubChem CID:	103109261
Reduced:	ClO2N3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	314.114568
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	3.77
IP(EA), eV:	-10.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)C)CCl

DOS

IR

Vibrations