Geometry & MOs

Info

ID:

419162

PubChem CID:

135107659

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

304.226312

ΔHf, kcal/mol:

-275.72

Dipole, Da:

6.77

IP(EA), eV:

 -9.43(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethyl-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)CC3=C(C=C(C=C3)F)Cl)C4=CC=CC=C4

DOS

IR

Vibrations