Geometry & MOs

Info

ID:	289577
PubChem CID:	104359619
Reduced:	ClSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	295.14514
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	2.67
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazin-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CSCC3(CC3)CC(=O)O)Cl

DOS

IR

Vibrations