Geometry & MOs

Info

ID:	314838
PubChem CID:	126623601
Reduced:	N2O2F5H11C12 (1)
Stoich.:	A2B2C5D11E12 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	-317.01
Dipole, Da:	2.81
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-3-methylpyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=C(C(=CC=C2)OC(F)(F)F)F)F

DOS

IR

Vibrations