Geometry & MOs

Info

ID:	174567
PubChem CID:	75786453
Reduced:	ON4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	29.02
Dipole, Da:	3.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094531
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=[NH+]2)N)O

DOS

IR

Vibrations