Geometry & MOs

Info

ID:	251528
PubChem CID:	103104677
Reduced:	FNOC4H4 (3)
Stoich.:	ABCD4E4 (3)
Weight, g/mol:	321.05481
ΔH_f, kcal/mol:	-200.4
Dipole, Da:	3.0
IP(EA), eV:	-9.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(O2)C)C(F)(F)F

DOS

IR

Vibrations