Geometry & MOs

Info

ID:

442930

PubChem CID:

135256937

Reduced:

FON9H24C27 (1)

Stoich.:

ABC9D24E27 (1)

Weight, g/mol:

507.213121

ΔHf, kcal/mol:

65.16

Dipole, Da:

6.27

IP(EA), eV:

 -8.74(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(6-methoxypyridin-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=CC(=C4)F)C)NC5=CN=C(N5)C

DOS

IR

Vibrations