Geometry & MOs

Info

ID:	12917
PubChem CID:	148370
Reduced:	H5C9 (2)
Stoich.:	A5B9 (2)
Weight, g/mol:	226.07825
ΔH_f, kcal/mol:	118.4
Dipole, Da:	0.02
IP(EA), eV:	-8.48(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1,3,5(18),6,8,10(17),11,13,15-nonaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C4C=CC=C5C4=C(C3=C1)C=C5)C=C2

DOS

IR

Vibrations