Geometry & MOs

Info

ID:	199318
PubChem CID:	79229942
Reduced:	BrNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	1.97
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(2,3-dihydro-1-benzofuran-3-yl)propanoate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)COC3=CC(=CN=C3)Br

DOS

IR

Vibrations