Geometry & MOs

Info

ID:	251543
PubChem CID:	103104763
Reduced:	SO2F3N3H10C11 (1)
Stoich.:	AB2C3D3E10F11 (1)
Weight, g/mol:	309.130026
ΔH_f, kcal/mol:	-152.9
Dipole, Da:	2.57
IP(EA), eV:	-9.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methoxy-3-methylbutyl)-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CSC=C2)C(F)(F)F

DOS

IR

Vibrations