Geometry & MOs

Info

ID:	136560
PubChem CID:	52064388
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	1.19
Dipole, Da:	3.92
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C(=O)NC2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations