Geometry & MOs

Info

ID:	267607
PubChem CID:	103582967
Reduced:	BrClON2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	339.9978
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	2.07
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N(CCO)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations