Geometry & MOs

Info

ID:	313708
PubChem CID:	126617310
Reduced:	ON8H12C14 (1)
Stoich.:	AB8C12D14 (1)
Weight, g/mol:	487.088117
ΔH_f, kcal/mol:	115.19
Dipole, Da:	7.54
IP(EA), eV:	-8.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-(oxolan-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations