Geometry & MOs

Info

ID:	6314
PubChem CID:	68058
Reduced:	OH7C14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	382.09938
ΔH_f, kcal/mol:	47.6
Dipole, Da:	0.52
IP(EA), eV:	-8.93(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=C5C=CC=C6C5=C3C7=CC=CC=C7C6=O)C=CC=C4C2=O

DOS

IR

Vibrations