Geometry & MOs

Info

ID:

321867

PubChem CID:

126667096

Reduced:

F2O3N7H23C24 (1)

Stoich.:

A2B3C7D23E24 (1)

Weight, g/mol:

526.280472

ΔHf, kcal/mol:

-66.12

Dipole, Da:

2.31

IP(EA), eV:

 -8.92(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2S)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxy-5-[[4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2NC=O)NC3=NC=CC(=N3)C4=NOC5=CC=CC=C54)OC(F)F

DOS

IR

Vibrations