Geometry & MOs

Info

ID:	266963
PubChem CID:	103580222
Reduced:	BrClSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	289.98215
ΔH_f, kcal/mol:	58.51
Dipole, Da:	1.32
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations