Geometry & MOs

Info

ID:

325557

PubChem CID:

126683955

Reduced:

O2N4C12H15 (2)

Stoich.:

A2B4C12D15 (2)

Weight, g/mol:

491.275721

ΔHf, kcal/mol:

17.93

Dipole, Da:

4.39

IP(EA), eV:

 -8.66(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-4-[[(1S,2R)-2-[(methylideneamino)methyl]cyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](COC)OC1=NC(=NC(=N1)N2CCC(CC2)C3=NC(=C(C=C3)N)C(=O)N)C(=O)NC45CC=C4C5

DOS

IR

Vibrations