Geometry & MOs

Info

ID:	442865
PubChem CID:	135256634
Reduced:	ON8H24C27 (1)
Stoich.:	AB8C24D27 (1)
Weight, g/mol:	504.202222
ΔH_f, kcal/mol:	118.72
Dipole, Da:	5.08
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NCC4=CN=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations