Geometry & MOs

Info

ID:	3091
PubChem CID:	9145
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	109.65
Dipole, Da:	0.22
IP(EA), eV:	-8.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[11.10.1.02,11.05,10.017,24.018,23]tetracosa-1(24),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC=C5C4=C3C6=CC=CC=C65

DOS

IR

Vibrations