Geometry & MOs

Info

ID:	313690
PubChem CID:	126617274
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	317.094646
ΔH_f, kcal/mol:	51.67
Dipole, Da:	8.39
IP(EA), eV:	-8.96(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC2=NC(=CS2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations