Geometry & MOs

Info

ID:	313738
PubChem CID:	126617369
Reduced:	ClON6H11C16 (1)
Stoich.:	ABC6D11E16 (1)
Weight, g/mol:	463.027266
ΔH_f, kcal/mol:	86.85
Dipole, Da:	5.02
IP(EA), eV:	-8.85(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenoxy)methyl]-8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations