Geometry & MOs

Info

ID:	397849
PubChem CID:	135030839
Reduced:	ON4H20C31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	472.226312
ΔH_f, kcal/mol:	189.0
Dipole, Da:	8.44
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-11-(cyclohexylmethyl)-8-methyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,9,10,10-tetracarbonitrile

Drug info:

PubChemData

Smile

CC12C3CC4=CC=CC=C4C3C(C5=CC=CC=C51)(C(C2(C#N)C#N)(C#N)C#N)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations