Geometry & MOs

Info

ID:	39068
PubChem CID:	8139525
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	407.177096
ΔH_f, kcal/mol:	9.9
Dipole, Da:	5.39
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[5-(2-fluorophenyl)furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations