Geometry & MOs

Info

ID:

442106

PubChem CID:

135249860

Reduced:

ON2H21C22 (2)

Stoich.:

AB2C21D22 (2)

Weight, g/mol:

475.167811

ΔHf, kcal/mol:

55.4

Dipole, Da:

3.83

IP(EA), eV:

 -8.36(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-4-[3-[6-(propylsulfonylamino)naphthalen-2-yl]pyrazolo[1,5-a]pyrazin-4-yl]but-3-ynamide

Drug info:

PubChemData

Smile

CC1(C(OC(=N1)C2=CN=C(C=C2)C3=C4C=CC(=CC4=C(C5=CC=CC=C53)C6=NC=C(C=C6)C7=NC(C(O7)(C)C)(C)C)C8=CC=CC=C8)(C)C)C

DOS

IR

Vibrations