Geometry & MOs

Info

ID:	251722
PubChem CID:	103106303
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	3.75
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(2-methoxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations