Geometry & MOs

Info

ID:	367656
PubChem CID:	127325185
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	4.54
IP(EA), eV:	-8.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-cyclopropyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C1COC(C2=CC=CC=C21)CC(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations