Geometry & MOs

Info

ID:

442927

PubChem CID:

135256934

Reduced:

FON9H28C29 (1)

Stoich.:

ABC9D28E29 (1)

Weight, g/mol:

536.183298

ΔHf, kcal/mol:

60.19

Dipole, Da:

6.73

IP(EA), eV:

 -8.88(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(2-cyano-1H-imidazol-5-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C(=C3)C)C(=O)NCC4=CN=C(C=C4)C5=C(N=CC(=C5)F)C

DOS

IR

Vibrations