Geometry & MOs

Info

ID:	254159
PubChem CID:	103123165
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	32.26
Dipole, Da:	6.2
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yl-1-(2-propan-2-yloxyethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCC3(CC3)CN

DOS

IR

Vibrations