Geometry & MOs

Info

ID:	397851
PubChem CID:	135030841
Reduced:	ON4H26C29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	435.183444
ΔH_f, kcal/mol:	130.49
Dipole, Da:	7.06
IP(EA), eV:	-10.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-8,11-dimethyl-14-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione

Drug info:

PubChemData

Smile

CCCCCCC(=O)C12C(CC(C3=CC=CC=C31)C(C2(C#N)C#N)(C#N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations