Geometry & MOs

Info

ID:	266966
PubChem CID:	103580240
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	291.9978
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	3.21
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2=C(C=C(C=N2)Br)Cl)O

DOS

IR

Vibrations