Geometry & MOs

Info

ID:	313696
PubChem CID:	126617298
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	486.104101
ΔH_f, kcal/mol:	40.74
Dipole, Da:	9.47
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC2=NC(=CS2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations