Geometry & MOs

Info

ID:	77828
PubChem CID:	49661668
Reduced:	ClO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	47.67
Dipole, Da:	5.42
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)Cl)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations