Geometry & MOs

Info

ID:	127612
PubChem CID:	51008365
Reduced:	Br3H11C15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	289.99424
ΔH_f, kcal/mol:	55.58
Dipole, Da:	2.9
IP(EA), eV:	-9.05(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,8R)-10-bromotricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaene-9-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2C(C([C@H]1C3=CC4=CC=CC=C4C=C23)(Br)Br)Br

DOS

IR

Vibrations