Geometry & MOs

Info

ID:	251538
PubChem CID:	103104739
Reduced:	O2F3N4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	306.039831
ΔH_f, kcal/mol:	-149.15
Dipole, Da:	4.24
IP(EA), eV:	-10.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=N2)C(F)(F)F

DOS

IR

Vibrations