Geometry & MOs

Info

ID:	368399
PubChem CID:	127328307
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	4.54
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)CNC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations