Geometry & MOs

Info

ID:	251576
PubChem CID:	103104994
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	229.106256
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	2.86
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3-dihydroxypropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CC3=CC=CC=C3S2)C

DOS

IR

Vibrations