Geometry & MOs

Info

ID:	397685
PubChem CID:	135030576
Reduced:	ON4H20C28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	442.178024
ΔH_f, kcal/mol:	174.92
Dipole, Da:	10.65
IP(EA), eV:	-10.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-benzoylpentacyclo[6.6.2.13,6.02,7.09,14]heptadeca-9,11,13,15-tetraene-15,16-dicarboxylate

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C4(C5=CC=CC=C5C3C(C4(C#N)C#N)(C#N)C#N)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations