Geometry & MOs

Info

ID:	71550
PubChem CID:	48415028
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-41.71
Dipole, Da:	0.84
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzo[e][1]benzofuran-1-yl-1-(4-but-3-ynylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CSC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations