Geometry & MOs

Info

ID:	266939
PubChem CID:	103580133
Reduced:	BrClSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	277.98215
ΔH_f, kcal/mol:	71.24
Dipole, Da:	1.09
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-3-chloropyridin-2-yl)-methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CN(CC1=CSC=N1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations