Geometry & MOs

Info

ID:	289644
PubChem CID:	104362926
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	6.69
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-ethylmorpholin-2-yl)ethanol

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C(=O)CC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations