Geometry & MOs

Info

ID:

389358

PubChem CID:

134992493

Reduced:

FeP2C44H48 (1)

Stoich.:

AB2C44D48 (1)

Weight, g/mol:

347.184506

ΔHf, kcal/mol:

-10.64

Dipole, Da:

6.7

IP(EA), eV:

 -7.26(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,4S)-1-[[3-(2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]amino]-N,N-dimethylbicyclo[2.2.2]oct-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P([C]2[CH][CH][CH][C]2[C@@H](C)P(C3=CC(=CC(=C3)C)C)C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)C.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations