Geometry & MOs

Info

ID:	397555
PubChem CID:	135030380
Reduced:	O3H24C28 (1)
Stoich.:	A3B24C28 (1)
Weight, g/mol:	406.156895
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	0.66
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoylhexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-9(14),11,15,17,19-pentaene-10,13-dione

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C4(C5C(C3C6=CC=CC=C64)C(=O)C=CC5=O)C(=O)C7=CC=CC=C7

DOS

IR

Vibrations