Geometry & MOs

Info

ID:	266967
PubChem CID:	103580245
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	277.98215
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	2.74
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-3-chloropyridin-2-yl)amino]butan-2-ol

Drug info:

PubChemData

Smile

CCCC(CNC1=C(C=C(C=N1)Br)Cl)O

DOS

IR

Vibrations