Geometry & MOs

Info

ID:	25896
PubChem CID:	632672
Reduced:	NCl2Br3H4C10 (1)
Stoich.:	AB2C3D4E10 (1)
Weight, g/mol:	395.82954
ΔH_f, kcal/mol:	40.33
Dipole, Da:	2.63
IP(EA), eV:	-9.86(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-tribromo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N=C(C=C2Cl)C(Br)(Br)Br

DOS

IR

Vibrations