Geometry & MOs

Info

ID:	251564
PubChem CID:	103104925
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	5.22
IP(EA), eV:	-9.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-(3-methylbutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2C(=C(N=N2)C(=O)OCC)C

DOS

IR

Vibrations