Geometry & MOs

Info

ID:

179301

PubChem CID:

76463488

Reduced:

BrNO2F4H36C37 (1)

Stoich.:

ABC2D4E36F37 (1)

Weight, g/mol:

602.268217

ΔHf, kcal/mol:

-189.49

Dipole, Da:

10.45

IP(EA), eV:

 -8.42(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4,4,8,8-tetrakis(4-fluorophenyl)-2,2-dimethylspiro[3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-d]azepin-6-ium-6,1'-azolidin-1-ium]

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(C[N+]3(CCCC3)CC2(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F)C.[Br-]

DOS

IR

Vibrations