Geometry & MOs

Info

ID:	344442
PubChem CID:	127267618
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	8.68
Dipole, Da:	2.69
IP(EA), eV:	-9.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CC3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations