Geometry & MOs

Info

ID:

442885

PubChem CID:

135256775

Reduced:

FO2N8H25C29 (1)

Stoich.:

AB2C8D25E29 (1)

Weight, g/mol:

542.217872

ΔHf, kcal/mol:

7.86

Dipole, Da:

10.96

IP(EA), eV:

 -9.4(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(3-cyanoanilino)-6-methylpyrimidin-2-yl]-N-[1-[6-(6-methoxypyridin-3-yl)pyridin-3-yl]ethyl]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=C(N=C(C=C4)F)C)NC5=CC(=O)NC=C5

DOS

IR

Vibrations