Geometry & MOs

Info

ID:

442883

PubChem CID:

135256771

Reduced:

FON9H22C29 (1)

Stoich.:

ABC9D22E29 (1)

Weight, g/mol:

548.188464

ΔHf, kcal/mol:

108.24

Dipole, Da:

8.54

IP(EA), eV:

 -9.54(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(3-cyanoanilino)-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methylpyridin-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=C(N=CC(=C4)F)C)NC5=CN=CC(=C5)C#N

DOS

IR

Vibrations