Geometry & MOs

Info

ID:

442875

PubChem CID:

135256702

Reduced:

OF2N10H24C28 (1)

Stoich.:

AB2C10D24E28 (1)

Weight, g/mol:

517.233857

ΔHf, kcal/mol:

70.93

Dipole, Da:

4.69

IP(EA), eV:

 -8.46(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methyl-6-[[(5Z)-5-(methylaminomethylidene)pyrazol-3-yl]amino]pyrimidin-2-yl]-N-[1-(6-phenylpyridin-3-yl)ethyl]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=CC(=C4)F)C)F)NC5=CC(=CNC)N=N5

DOS

IR

Vibrations