Geometry & MOs

Info

ID:	313693
PubChem CID:	126617295
Reduced:	OSN6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	302.047361
ΔH_f, kcal/mol:	54.69
Dipole, Da:	9.25
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-oxo-1H-pyrido[3,4-d]pyrimidin-8-yl)-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O

DOS

IR

Vibrations