Geometry & MOs

Info

ID:	409350
PubChem CID:	135082130
Reduced:	BrN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	296.068473
ΔH_f, kcal/mol:	16.4
Dipole, Da:	2.58
IP(EA), eV:	-8.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,12-dioxatricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-7,10,13-trione

Drug info:

PubChemData

Smile

C1CCC2=C(N=C(CC=C2C1)Br)N

DOS

IR

Vibrations