Geometry & MOs

Info

ID:	197355
PubChem CID:	78955745
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	253.067426
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	5.24
IP(EA), eV:	-10.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCN1C=NC(=N1)C(=O)OC

DOS

IR

Vibrations