Geometry & MOs

Info

ID:	266961
PubChem CID:	103580217
Reduced:	BrClN5H9C10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	307.97159
ΔH_f, kcal/mol:	94.06
Dipole, Da:	6.3
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-chloropyridin-2-yl)-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

C1CN2C=NN=C2CN1C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations