Geometry & MOs

Info

ID:	178913
PubChem CID:	76400757
Reduced:	O2F3N4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	2.0
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-6-(4-methoxypyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1C2C(CN1C3=NC=CC(=N3)C(F)(F)F)OCC(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations