Geometry & MOs

Info

ID:	221361
PubChem CID:	85267839
Reduced:	NO3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	955.818865
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	4.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879904
Charge, e:	1

Chem-info

IUPAC name:

pentaconta-12,24,36,48-tetraenyl(triphenyl)phosphanium

Drug info:

PubChemData

Smile

CC=CC1(C(=O)OC(N1C(=O)C(C)(C)C)[C]2[CH][CH][CH][CH]2)C

DOS

IR

Vibrations