Geometry & MOs

Info

ID:

389082

PubChem CID:

134991090

Reduced:

FeON2P2C43H46 (1)

Stoich.:

ABC2D2E43F46 (1)

Weight, g/mol:

520.228141

ΔHf, kcal/mol:

191.41

Dipole, Da:

4.19

IP(EA), eV:

 -7.27(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(S)-[(4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride

Drug info:

PubChemData

Smile

C[C@@H]([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)CCN4CCOCC4.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe]

DOS

IR

Vibrations