Geometry & MOs

Info

ID:	3074
PubChem CID:	9122
Reduced:	H7C12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	302.10955
ΔH_f, kcal/mol:	89.14
Dipole, Da:	0.0
IP(EA), eV:	-8.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C6=CC=CC(=C64)C2=C1

DOS

IR

Vibrations