Geometry & MOs

Info

ID:	313724
PubChem CID:	126617340
Reduced:	SO2N5H23C30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	383.058531
ΔH_f, kcal/mol:	87.43
Dipole, Da:	6.75
IP(EA), eV:	-8.68(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC3=NC(=O)C4=C(N3)C(=NC=C4)C5=CSC(=N5)NC6=CC=CC=C6

DOS

IR

Vibrations