Geometry & MOs

Info

ID:	267605
PubChem CID:	103582957
Reduced:	BrClNOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	318.01345
ΔH_f, kcal/mol:	12.44
Dipole, Da:	1.84
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromo-3-chloropyridin-2-yl)piperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)O)SC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations