Geometry & MOs

Info

ID:	277359
PubChem CID:	103828069
Reduced:	NSBr2O2H7C11 (1)
Stoich.:	ABC2D2E7F11 (1)
Weight, g/mol:	241.150036
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	4.68
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=C(SC(=C2)Br)Br)O

DOS

IR

Vibrations