Geometry & MOs

Info

ID:	397850
PubChem CID:	135030840
Reduced:	ON4H28C31 (1)
Stoich.:	AB4C28D31 (1)
Weight, g/mol:	446.210661
ΔH_f, kcal/mol:	129.85
Dipole, Da:	10.39
IP(EA), eV:	-10.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptanoyl-11-phenyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,9,10,10-tetracarbonitrile

Drug info:

PubChemData

Smile

CC12CC(C(C3=CC=CC=C31)(C(C2(C#N)C#N)(C#N)C#N)C(=O)C4=CC=CC=C4)CC5CCCCC5

DOS

IR

Vibrations