Geometry & MOs

Info

ID:	183906
PubChem CID:	77088910
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	-83.14
Dipole, Da:	5.85
IP(EA), eV:	-8.67(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1C(=O)O)CC2=CC=C(C=C2)OCCC3=CC=CC=C3

DOS

IR

Vibrations