Geometry & MOs

Info

ID:	313751
PubChem CID:	126617417
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	90.52
Dipole, Da:	8.43
IP(EA), eV:	-8.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)C3=CN(N=C3N)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations