Geometry & MOs

Info

ID:

442876

PubChem CID:

135256703

Reduced:

ON9H27C29 (1)

Stoich.:

AB9C27D29 (1)

Weight, g/mol:

536.183298

ΔHf, kcal/mol:

150.1

Dipole, Da:

3.34

IP(EA), eV:

 -8.33(-1.18)

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]-3-fluoro-N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NC(C)C3=CN=C(C=C3)C4=CC=CC=C4)NC5=C/C(=C/NC)/N=N5

DOS

IR

Vibrations