Geometry & MOs

Info

ID:	368390
PubChem CID:	127328298
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	4.38
IP(EA), eV:	-9.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCCN3C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations