Geometry & MOs

Info

ID:

442892

PubChem CID:

135256786

Reduced:

ON8H22C29 (1)

Stoich.:

AB8C22D29 (1)

Weight, g/mol:

546.1928

ΔHf, kcal/mol:

150.04

Dipole, Da:

10.72

IP(EA), eV:

 -9.34(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(3-cyanoanilino)-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)NCC3=CN=C(C=C3)C4=CN=CC=C4)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations