Geometry & MOs

Info

ID:

302476

PubChem CID:

124361912

Reduced:

OF3N3H28C32 (1)

Stoich.:

AB3C3D28E32 (1)

Weight, g/mol:

409.122655

ΔHf, kcal/mol:

-89.71

Dipole, Da:

6.07

IP(EA), eV:

 -8.78(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3aS)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@H](C([C@@H]5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=C(C=C7)C(F)(F)F

DOS

IR

Vibrations