Geometry & MOs

Info

ID:

442870

PubChem CID:

135256696

Reduced:

ON10C28H30 (1)

Stoich.:

AB10C28D30 (1)

Weight, g/mol:

524.219684

ΔHf, kcal/mol:

107.47

Dipole, Da:

8.46

IP(EA), eV:

 -8.79(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(3-cyclopropylpyrazol-1-yl)pyridin-3-yl]methyl]-3-fluoro-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC(C)C2=CN=C(C=C2)N3C(=CC(=N3)C)C)C4=NC(=CC(=N4)NC5=NNC(=C5)C)C

DOS

IR

Vibrations