Geometry & MOs

Info

ID:	309030
PubChem CID:	126535053
Reduced:	FON6H21C27 (1)
Stoich.:	ABC6D21E27 (1)
Weight, g/mol:	352.147016
ΔH_f, kcal/mol:	107.83
Dipole, Da:	2.13
IP(EA), eV:	-8.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)O)N=C2

DOS

IR

Vibrations