Geometry & MOs

Info

ID:	267610
PubChem CID:	103582981
Reduced:	BrClN2O2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	307.99272
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	2.71
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloropyridin-2-yl)-(2-methoxyethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1COC(CN1C2=C(C=C(C=N2)Br)Cl)CO

DOS

IR

Vibrations