Geometry & MOs

Info

ID:

442878

PubChem CID:

135256705

Reduced:

O2N10H28C29 (1)

Stoich.:

A2B10C28D29 (1)

Weight, g/mol:

505.177484

ΔHf, kcal/mol:

117.79

Dipole, Da:

12.52

IP(EA), eV:

 -8.37(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[(6-phenylpyridin-3-yl)methyl]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=CN=C(C=C4)OC)NC5=C/C(=C\NC)/N=N5

DOS

IR

Vibrations