Geometry & MOs

Info

ID:

442903

PubChem CID:

135256852

Reduced:

ON9H25C27 (1)

Stoich.:

AB9C25D27 (1)

Weight, g/mol:

484.188383

ΔHf, kcal/mol:

121.87

Dipole, Da:

4.34

IP(EA), eV:

 -8.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=CN=CC=C5

DOS

IR

Vibrations