Geometry & MOs

Info

ID:	199287
PubChem CID:	79226661
Reduced:	NOBr3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	15.74
Dipole, Da:	3.32
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butan-1-ol

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CNC3=C(C=C(C=C3Br)Br)Br

DOS

IR

Vibrations