Geometry & MOs

Info

ID:	3072
PubChem CID:	9117
Reduced:	H6C11 (2)
Stoich.:	A6B11 (2)
Weight, g/mol:	276.0939
ΔH_f, kcal/mol:	114.04
Dipole, Da:	0.1
IP(EA), eV:	-8.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

DOS

IR

Vibrations