Geometry & MOs

Info

ID:	178912
PubChem CID:	76400643
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	378.13036
ΔH_f, kcal/mol:	-4.27
Dipole, Da:	4.28
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C(CN1CC3=NC=CN3)OCC(=O)N2CC4=CC=CC=N4

DOS

IR

Vibrations