Geometry & MOs

Info

ID:	291781
PubChem CID:	113491924
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-87.77
Dipole, Da:	4.66
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]butan-2-ol

Drug info:

PubChemData

Smile

CCC(CNC1=C(C=C(C=C1)C(=O)NCC)N)O

DOS

IR

Vibrations