Geometry & MOs

Info

ID:	267606
PubChem CID:	103582963
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	320.0291
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	2.97
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloropyridin-2-yl)-pentan-3-ylamino]ethanol

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCO)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations