Geometry & MOs

Info

ID:	294469
PubChem CID:	117462646
Reduced:	BrFN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	2.99
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=C(ON=C2)N)Br)F

DOS

IR

Vibrations