Geometry & MOs

Info

ID:	254205
PubChem CID:	103123404
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	76.0
Dipole, Da:	5.14
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-oxazol-5-ylmethyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=CN=C(O3)CNC4CC4

DOS

IR

Vibrations