Geometry & MOs

Info

ID:

442856

PubChem CID:

135256624

Reduced:

FON10H21C27 (1)

Stoich.:

ABC10D21E27 (1)

Weight, g/mol:

504.213455

ΔHf, kcal/mol:

120.36

Dipole, Da:

7.33

IP(EA), eV:

 -9.35(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)NC5=NNC(=C5)C#N

DOS

IR

Vibrations