Geometry & MOs

Info

ID:	267624
PubChem CID:	103583034
Reduced:	BrCl2N2O2H11C13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	353.97707
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	2.05
IP(EA), eV:	-8.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC2=C(C=C(C=N2)Br)Cl)OC)Cl

DOS

IR

Vibrations