Geometry & MOs

Info

ID:	254183
PubChem CID:	103123277
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	6.25
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC(=O)N

DOS

IR

Vibrations