Geometry & MOs

Info

ID:

442872

PubChem CID:

135256699

Reduced:

ON10C27H28 (1)

Stoich.:

AB10C27D28 (1)

Weight, g/mol:

534.204034

ΔHf, kcal/mol:

117.91

Dipole, Da:

4.98

IP(EA), eV:

 -8.86(-1.23)

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-[1-[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]ethyl]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)N5C(=CC(=N5)C)C

DOS

IR

Vibrations