Geometry & MOs

Info

ID:

80751

PubChem CID:

49836648

Reduced:

F3N8H25C31 (1)

Stoich.:

A3B8C25D31 (1)

Weight, g/mol:

548.243693

ΔHf, kcal/mol:

56.89

Dipole, Da:

5.19

IP(EA), eV:

 -8.58(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]naphthalen-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@H]1CN2C3=C(C=C(C=C3)C4=CC=NC5=C(C(=NN45)C6=CC=NC=C6)C7=C8C=NNC8=CC=C7)C(F)(F)F

DOS

IR

Vibrations