Geometry & MOs

Info

ID:	178916
PubChem CID:	76400852
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	3.41
IP(EA), eV:	-9.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CC3C(C2)OCC(=O)N3CC4=CC=CC=N4

DOS

IR

Vibrations