Geometry & MOs

Info

ID:	252156
PubChem CID:	103109457
Reduced:	ClO3N4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	315.059753
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	2.48
IP(EA), eV:	-10.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C(C)N1C(=C(N=N1)C(=O)OCC)CCl

DOS

IR

Vibrations