Geometry & MOs

Info

ID:	313741
PubChem CID:	126617377
Reduced:	ON9C19H21 (1)
Stoich.:	AB9C19D21 (1)
Weight, g/mol:	403.030602
ΔH_f, kcal/mol:	109.88
Dipole, Da:	8.72
IP(EA), eV:	-8.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-amino-1,3-thiazol-4-yl)-2-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2C=C(C=N2)C3=CN(N=C3N)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations