Geometry & MOs

Info

ID:

442859

PubChem CID:

135256628

Reduced:

O2N10H22C27 (1)

Stoich.:

A2B10C22D27 (1)

Weight, g/mol:

534.204034

ΔHf, kcal/mol:

130.74

Dipole, Da:

5.53

IP(EA), eV:

 -8.95(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-3-methylpyridine-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=NNC(=C5)C#N

DOS

IR

Vibrations