Geometry & MOs

Info

ID:	442901
PubChem CID:	135256850
Reduced:	FON8H23C27 (1)
Stoich.:	ABC8D23E27 (1)
Weight, g/mol:	490.222957
ΔH_f, kcal/mol:	76.19
Dipole, Da:	5.5
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations