Geometry & MOs

Info

ID:

299716

PubChem CID:

117688809

Reduced:

O2F4N6C21H22 (1)

Stoich.:

A2B4C6D21E22 (1)

Weight, g/mol:

432.20853

ΔHf, kcal/mol:

-200.65

Dipole, Da:

4.78

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-cyclopropyl-6-[(1S,4S)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1[C@H]2CN([C@@H]1CO2)C3=NC(=NC(=C3)C4=CC(=C(N=C4)N)OC(F)F)N5CC6CC5CC6(F)F

DOS

IR

Vibrations