Geometry & MOs

Info

ID:	362440
PubChem CID:	127307786
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	3.29
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)N3CCOC(C3)C4=NC=CS4

DOS

IR

Vibrations