Geometry & MOs

Info

ID:	410205
PubChem CID:	135082996
Reduced:	BNOBr2C25H26 (1)
Stoich.:	ABCD2E25F26 (1)
Weight, g/mol:	154.07825
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	7.97
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-5,6,9,10-tetradehydro-2,3,3a,4-tetrahydrocyclopenta[9]annulene

Drug info:

PubChemData

Smile

B1([N+]2(CC3=CC=CC=C3O1)[C@@H](CC[C@H]2CC4=CC=CC=C4)CC5=CC=CC=C5)Br.[Br-]

DOS

IR

Vibrations