Geometry & MOs

Info

ID:	207226
PubChem CID:	80362342
Reduced:	SO3N5C6H7 (1)
Stoich.:	AB3C5D6E7 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	4.37
IP(EA), eV:	-9.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(hydroxymethyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1C(N(CS1)C(=O)C2=NNN=N2)C(=O)O

DOS

IR

Vibrations