Geometry & MOs

Info

ID:	208116
PubChem CID:	80496712
Reduced:	SO3H5N5C6 (1)
Stoich.:	AB3C5D5E6 (1)
Weight, g/mol:	243.075625
ΔH_f, kcal/mol:	13.72
Dipole, Da:	4.01
IP(EA), eV:	-10.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methanol

Drug info:

PubChemData

Smile

C1=NNN=C1C2=NOC(=N2)SCC(=O)O

DOS

IR

Vibrations