Geometry & MOs

Info

ID:	271597
PubChem CID:	103685237
Reduced:	BrSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	6.85
Dipole, Da:	5.14
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-ylmethylamino)-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC(C2=CSC=C2)O)[N+](=O)[O-])Br

DOS

IR

Vibrations