Geometry & MOs

Info

ID:	313703
PubChem CID:	126617305
Reduced:	FON5H10C16 (1)
Stoich.:	ABC5D10E16 (1)
Weight, g/mol:	402.035353
ΔH_f, kcal/mol:	49.45
Dipole, Da:	3.59
IP(EA), eV:	-9.18(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(N=C2)C3=NC=CC4=C3NC=NC4=O)F

DOS

IR

Vibrations