Geometry & MOs

Info

ID:	178917
PubChem CID:	76400853
Reduced:	FN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	3.15
IP(EA), eV:	-9.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,2-oxazole-5-carbonyl)-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

C1C2C(CN1C(=O)C3=CC=C(C=C3)F)OCC(=O)N2CC4=CC=CC=N4

DOS

IR

Vibrations