Geometry & MOs

Info

ID:	384597
PubChem CID:	134977280
Reduced:	H17C23 (1)
Stoich.:	A17B23 (1)
Weight, g/mol:	357.177213
ΔH_f, kcal/mol:	167.46
Dipole, Da:	0.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124622
Charge, e:	1

Chem-info

IUPAC name:

6-methyl-4,4-diphenyl-1,2,3,3a,5,9b-hexahydrocyclopenta[c]isophosphinolin-4-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2C([C+]2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations