Geometry & MOs

Info

ID:

442929

PubChem CID:

135256936

Reduced:

FON10H25C28 (1)

Stoich.:

ABC10D25E28 (1)

Weight, g/mol:

509.208785

ΔHf, kcal/mol:

101.99

Dipole, Da:

14.31

IP(EA), eV:

 -8.34(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[(2-methyl-1H-imidazol-5-yl)amino]pyrimidin-2-yl]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=C(C=C4)F)C)NC5=N/C(=C/NC)/N=C5

DOS

IR

Vibrations