Geometry & MOs

Info

ID:	313692
PubChem CID:	126617294
Reduced:	O2N6H14C17 (1)
Stoich.:	A2B6C14D17 (1)
Weight, g/mol:	316.11063
ΔH_f, kcal/mol:	49.14
Dipole, Da:	6.59
IP(EA), eV:	-8.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations