Geometry & MOs

Info

ID:	360906
PubChem CID:	127301603
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	2.91
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4CCCCC4

DOS

IR

Vibrations