Geometry & MOs

Info

ID:	306716
PubChem CID:	125235764
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	3.21
IP(EA), eV:	-8.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)C[C@@H]2C[C@H]3CN(C[C@@H]3O2)C4CCOCC4

DOS

IR

Vibrations