Geometry & MOs

Info

ID:	286607
PubChem CID:	104179428
Reduced:	FNSC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	342.00376
ΔH_f, kcal/mol:	-8.12
Dipole, Da:	2.84
IP(EA), eV:	-8.76(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-bromothiophen-2-yl)methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

Drug info:

PubChemData

Smile

C=CCSCCNC1CC(C1)C2=CC=CC=C2F

DOS

IR

Vibrations