Geometry & MOs

Info

ID:	395748
PubChem CID:	135026450
Reduced:	NPPdC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	349.146664
ΔH_f, kcal/mol:	152.21
Dipole, Da:	2.94
IP(EA), eV:	-7.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)-N,1-diphenylprop-2-yn-1-imine

Drug info:

PubChemData

Smile

[CH3-].[C-]#CC(=NC1=CC=CC=C1)C2=CC=CC=C2.P.[Pd+2]

DOS

IR

Vibrations