Geometry & MOs

Info

ID:

442124

PubChem CID:

135249954

Reduced:

N6H50C51 (1)

Stoich.:

A6B50C51 (1)

Weight, g/mol:

384.149873

ΔHf, kcal/mol:

156.91

Dipole, Da:

3.08

IP(EA), eV:

 -8.49(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=CC(=N2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)C9=NC(=CC=C9)N1C(=NC(C1(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations