Geometry & MOs

Info

ID:

442852

PubChem CID:

135256620

Reduced:

FON10H25C27 (1)

Stoich.:

ABC10D25E27 (1)

Weight, g/mol:

528.194612

ΔHf, kcal/mol:

83.13

Dipole, Da:

6.61

IP(EA), eV:

 -8.92(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NCC4=CN=C(C=N4)C5=C(N=CC(=C5)F)C

DOS

IR

Vibrations