Geometry & MOs

Info

ID:	251542
PubChem CID:	103104756
Reduced:	O2F3N5C11H12 (1)
Stoich.:	A2B3C5D11E12 (1)
Weight, g/mol:	305.044582
ΔH_f, kcal/mol:	-150.52
Dipole, Da:	4.17
IP(EA), eV:	-9.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CN=CN2C)C(F)(F)F

DOS

IR

Vibrations