Geometry & MOs

Info

ID:	363030
PubChem CID:	127310055
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	3.45
IP(EA), eV:	-9.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CS(=O)(=O)C3CCCC3

DOS

IR

Vibrations