Geometry & MOs

Info

ID:	266980
PubChem CID:	103580295
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	289.98215
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloropyridin-2-yl)-prop-2-enylamino]ethanol

Drug info:

PubChemData

Smile

CC(CCN(C)C1=C(C=C(C=N1)Br)Cl)O

DOS

IR

Vibrations