Geometry & MOs

Info

ID:

442889

PubChem CID:

135256783

Reduced:

O2N9H23C26 (1)

Stoich.:

A2B9C23D26 (1)

Weight, g/mol:

495.193135

ΔHf, kcal/mol:

93.29

Dipole, Da:

7.07

IP(EA), eV:

 -8.98(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=CC=NN5

DOS

IR

Vibrations