Geometry & MOs

Info

ID:	384471
PubChem CID:	134977043
Reduced:	PC24H26 (1)
Stoich.:	AB24C26 (1)
Weight, g/mol:	490.141394
ΔH_f, kcal/mol:	54.96
Dipole, Da:	8.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.944967
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CCC1C([P+](CC2=CC=CC=C12)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations