Geometry & MOs

Info

ID:	251972
PubChem CID:	103108199
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	293.135111
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	3.91
IP(EA), eV:	-9.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations