Geometry & MOs

Info

ID:	357422
PubChem CID:	127294055
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	3.13
IP(EA), eV:	-8.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentylpiperazin-1-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)NC2=CC3=C(C=C2)OCC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations