Geometry & MOs

Info

ID:	384033
PubChem CID:	134976203
Reduced:	PC23H24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	518.172694
ΔH_f, kcal/mol:	56.15
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940267
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3,7,8-trimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2C[P+]1(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations