Geometry & MOs

Info

ID:

445178

PubChem CID:

135264785

Reduced:

OSC100H128 (1)

Stoich.:

ABC100D128 (1)

Weight, g/mol:

348.151016

ΔHf, kcal/mol:

-28.8

Dipole, Da:

3.34

IP(EA), eV:

 -8.02(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E)-1-[2,2-difluoroethyl-(methylideneamino)amino]prop-1-en-2-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C(C)(C)CC)C3=C1C=C(C=C3)C(C)(CCC)C(C)(CC)C4=CC(=CC(=C4)C5=CC6=C(C=C5)SC7=C6C=C8C9=CC=CC=C9OC8=C7)C(C)(CC)C(CC)(CCCC)C1=CC=CC2=C(C3=CC=CC=C3C=C21)C(CCC)CCCC)CCCCCCCC

DOS

IR

Vibrations