Geometry & MOs

Info

ID:	313736
PubChem CID:	126617367
Reduced:	ON8C18H18 (1)
Stoich.:	AB8C18D18 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	101.57
Dipole, Da:	8.1
IP(EA), eV:	-8.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=C(C=N2)C3=CN(N=C3N)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations