Geometry & MOs

Info

ID:	294963
PubChem CID:	117509571
Reduced:	BrFO2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	7.09
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C(=C2OC1)C3=C(NN=C3)N)F)Br

DOS

IR

Vibrations