Geometry & MOs

Info

ID:	251586
PubChem CID:	103105117
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	281.098726
ΔH_f, kcal/mol:	-122.25
Dipole, Da:	2.14
IP(EA), eV:	-10.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CNC(=O)O2)C

DOS

IR

Vibrations