Geometry & MOs

Info

ID:	251527
PubChem CID:	103104672
Reduced:	F3N3O3C10H14 (1)
Stoich.:	A3B3C3D10E14 (1)
Weight, g/mol:	303.083076
ΔH_f, kcal/mol:	-233.78
Dipole, Da:	2.5
IP(EA), eV:	-10.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCOC)C(F)(F)F

DOS

IR

Vibrations