Geometry & MOs

Info

ID:

443997

PubChem CID:

135260950

Reduced:

FO3N6C27H29 (1)

Stoich.:

AB3C6D27E29 (1)

Weight, g/mol:

425.222703

ΔHf, kcal/mol:

-62.17

Dipole, Da:

5.64

IP(EA), eV:

 -8.83(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=N2)C(=O)[C@H](CC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)CO)F)N

DOS

IR

Vibrations