Geometry & MOs

Info

ID:

45253

PubChem CID:

10510133

Reduced:

N7O11H47C53 (1)

Stoich.:

A7B11C47D53 (1)

Weight, g/mol:

965.081807

ΔHf, kcal/mol:

-106.64

Dipole, Da:

5.97

IP(EA), eV:

 -8.53(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O

DOS

IR

Vibrations