Geometry & MOs

Info

ID:	3073
PubChem CID:	9119
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	97.95
Dipole, Da:	0.04
IP(EA), eV:	-8.17(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4

DOS

IR

Vibrations