Geometry & MOs

Info

ID:

299693

PubChem CID:

117688644

Reduced:

ON6C22H24 (1)

Stoich.:

AB6C22D24 (1)

Weight, g/mol:

438.179122

ΔHf, kcal/mol:

89.51

Dipole, Da:

1.51

IP(EA), eV:

 -8.43(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(3S)-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

CC(C1=CC=CC=N1)OC2=C(N=CC(=C2)C3=CC(=NC(=N3)C4CC4)N5CCC5)N

DOS

IR

Vibrations