Geometry & MOs

Info

ID:

442854

PubChem CID:

135256622

Reduced:

FO2N10H25C27 (1)

Stoich.:

AB2C10D25E27 (1)

Weight, g/mol:

503.218206

ΔHf, kcal/mol:

50.59

Dipole, Da:

4.99

IP(EA), eV:

 -8.98(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methyl-6-[[(5E)-5-(methylaminomethylidene)pyrazol-3-yl]amino]pyrimidin-2-yl]-N-[(6-phenylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations