Geometry & MOs

Info

ID:

186612

PubChem CID:

77453844

Reduced:

BrF2O3N6C27H27 (1)

Stoich.:

AB2C3D6E27F27 (1)

Weight, g/mol:

488.228437

ΔHf, kcal/mol:

-134.08

Dipole, Da:

8.13

IP(EA), eV:

 -8.56(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[6-acetyl-7-amino-3-[6-(1-methylpyrazol-3-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=NC3=C(C=NN3C(=C2Br)N)C4=CN=C(C=C4)C5=CC=C(C=C5)OC(C)(F)F)O

DOS

IR

Vibrations