Geometry & MOs

Info

ID:

299695

PubChem CID:

117688660

Reduced:

O2F5N7C21H24 (1)

Stoich.:

A2B5C7D21E24 (1)

Weight, g/mol:

438.179122

ΔHf, kcal/mol:

-262.42

Dipole, Da:

2.09

IP(EA), eV:

 -8.94(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(3R)-3-fluoro-3-methylpyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=NC(=CC(=N2)N3CC(C3)N4CCOCC4)C5=CC(=C(N=C5)N)OC(F)(F)F

DOS

IR

Vibrations