Geometry & MOs

Info

ID:

442869

PubChem CID:

135256695

Reduced:

ON10C28H28 (1)

Stoich.:

AB10C28D28 (1)

Weight, g/mol:

522.260406

ΔHf, kcal/mol:

145.96

Dipole, Da:

9.94

IP(EA), eV:

 -8.8(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]ethyl]-3-methyl-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)NCC2=CN=C(C=C2)N3C=CC(=N3)C4CC4)C5=NC(=CC(=N5)NC6=NNC(=C6)C)C

DOS

IR

Vibrations