Geometry & MOs

Info

ID:	21894
PubChem CID:	593085
Reduced:	BrH9C12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	465.97548
ΔH_f, kcal/mol:	80.01
Dipole, Da:	0.21
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21,22-dibromopentacyclo[15.3.1.14,8.17,11.114,18]tetracosa-1(21),4(24),5,7,9,11(23),14(22),15,17,19-decaene

Drug info:

PubChemData

Smile

C1CC2=C(C3=C(C=C2)C(=C(CCC4=CC5=C(C=C4)C=C1C=C5)C=C3)Br)Br

DOS

IR

Vibrations