Geometry & MOs

Info

ID:

80749

PubChem CID:

49836646

Reduced:

N9H31C32 (1)

Stoich.:

A9B31C32 (1)

Weight, g/mol:

516.218621

ΔHf, kcal/mol:

214.07

Dipole, Da:

9.16

IP(EA), eV:

 -8.33(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations