Geometry & MOs

Info

ID:

315172

PubChem CID:

126624758

Reduced:

PO2N7C24H24 (1)

Stoich.:

AB2C7D24E24 (1)

Weight, g/mol:

534.211996

ΔHf, kcal/mol:

65.35

Dipole, Da:

3.29

IP(EA), eV:

 -8.32(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[1-methylphosphanyl-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)N[C@@H]3CCCNC3)OC4=CC=C(C=C4)C5=NC6=C(O5)C=CC=N6

DOS

IR

Vibrations