Geometry & MOs

Info

ID:	357520
PubChem CID:	127294153
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	10.4
IP(EA), eV:	-8.95(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations