Geometry & MOs

Info

ID:	77832
PubChem CID:	49661674
Reduced:	O2N6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	69.49
Dipole, Da:	2.14
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations