Geometry & MOs

Info

ID:

326202

PubChem CID:

126687074

Reduced:

NF3C23H26 (1)

Stoich.:

AB3C23D26 (1)

Weight, g/mol:

432.184065

ΔHf, kcal/mol:

-137.43

Dipole, Da:

3.62

IP(EA), eV:

 -8.87(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[[1-[[(Z)-(5-chloropyrrolo[2,3-b]pyridin-3-ylidene)-(methylamino)methyl]amino]-2-fluoroprop-2-enylidene]amino]cyclohexyl]propanamide

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations