Geometry & MOs

Info

ID:

442914

PubChem CID:

135256867

Reduced:

OF2N10H20C27 (1)

Stoich.:

AB2C10D20E27 (1)

Weight, g/mol:

488.182155

ΔHf, kcal/mol:

77.06

Dipole, Da:

9.31

IP(EA), eV:

 -9.44(-1.63)

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]-N-[(6-pyridin-3-ylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=C(C=C4)F)C)F)NC5=NNC(=C5)C#N

DOS

IR

Vibrations