Geometry & MOs

Info

ID:	77835
PubChem CID:	49661685
Reduced:	O3N5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	487.201968
ΔH_f, kcal/mol:	3.24
Dipole, Da:	4.91
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC(=C5)C

DOS

IR

Vibrations