Geometry & MOs

Info

ID:	346700
PubChem CID:	127271204
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	399.146203
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	3.21
IP(EA), eV:	-9.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations