Geometry & MOs

Info

ID:	266897
PubChem CID:	103579944
Reduced:	BrClN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	293.97707
ΔH_f, kcal/mol:	80.25
Dipole, Da:	2.34
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=N2)Br)Cl)C3=NC=CC=N3

DOS

IR

Vibrations