Geometry & MOs

Info

ID:

442898

PubChem CID:

135256794

Reduced:

FO2N9H26C28 (1)

Stoich.:

AB2C9D26E28 (1)

Weight, g/mol:

524.244836

ΔHf, kcal/mol:

34.34

Dipole, Da:

5.2

IP(EA), eV:

 -8.9(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[(3E,5Z)-3-methyl-6-(methylideneamino)-6-phenylhexa-3,5-dien-2-yl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=CN=C(C=C5)OC)F

DOS

IR

Vibrations