Geometry & MOs

Info

ID:	77830
PubChem CID:	49661671
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	51.48
Dipole, Da:	3.78
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations