Geometry & MOs

Info

ID:	289645
PubChem CID:	104363163
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	293.061885
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	4.15
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-fluoropyridin-2-yl)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations