Geometry & MOs

Info

ID:

325101

PubChem CID:

126680697

Reduced:

O2F5N7C23H24 (1)

Stoich.:

A2B5C7D23E24 (1)

Weight, g/mol:

505.204922

ΔHf, kcal/mol:

-221.41

Dipole, Da:

6.46

IP(EA), eV:

 -8.79(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)NC(=O)C1=NC(=NC(=N1)OCC2CC2(F)F)N3CCC(CC3)C4=C5C=CC=CC5=NN4

DOS

IR

Vibrations