Geometry & MOs

Info

ID:	251535
PubChem CID:	103104726
Reduced:	F3O3N4C10H13 (1)
Stoich.:	A3B3C4D10E13 (1)
Weight, g/mol:	305.044582
ΔH_f, kcal/mol:	-221.69
Dipole, Da:	6.27
IP(EA), eV:	-10.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(thiophen-2-ylmethyl)-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations