Geometry & MOs

Info

ID:	384495
PubChem CID:	134977090
Reduced:	PO6F12C18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	256.125201
ΔH_f, kcal/mol:	-716.61
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.508417
Charge, e:	0

Chem-info

IUPAC name:

tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne

Drug info:

PubChemData

Smile

C12=C(C(=C(C(=C1F)F)F)F)O[P-]34(O2)(OC5=C(O3)C(=C(C(=C5F)F)F)F)OC6=C(O4)C(=C(C(=C6F)F)F)F

DOS

IR

Vibrations