Geometry & MOs

Info

ID:	397686
PubChem CID:	135030577
Reduced:	O5H26C28 (1)
Stoich.:	A5B26C28 (1)
Weight, g/mol:	456.172545
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	1.82
IP(EA), eV:	-9.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoylheptacyclo[10.6.6.114,17.02,11.04,9.013,18.019,24]pentacosa-2(11),4,6,8,19,21,23-heptaene-3,10-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2(C3C4CCC(C4)C3C1C5=CC=CC=C52)C(=O)C6=CC=CC=C6)C(=O)OC

DOS

IR

Vibrations