Geometry & MOs

Info

ID:	346697
PubChem CID:	127271201
Reduced:	ClON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	398.162187
ΔH_f, kcal/mol:	67.68
Dipole, Da:	5.25
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCCC(C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl)C1

DOS

IR

Vibrations