Geometry & MOs

Info

ID:	425870
PubChem CID:	135128390
Reduced:	O5C24H34 (1)
Stoich.:	A5B24C34 (1)
Weight, g/mol:	342.053798
ΔH_f, kcal/mol:	-217.46
Dipole, Da:	3.7
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dichloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCCCCOC(=O)C=C

DOS

IR

Vibrations