Geometry & MOs

Info

ID:	24981
PubChem CID:	616078
Reduced:	NH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	232.100048
ΔH_f, kcal/mol:	133.25
Dipole, Da:	2.05
IP(EA), eV:	-9.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-cyanocyclohepta-1,3,5-trien-1-yl)cyclohepta-1,3,5-triene-1-carbonitrile

Drug info:

PubChemData

Smile

C1C(=CC=CC=C1C2=CC=CC=C(C2)C#N)C#N

DOS

IR

Vibrations