Geometry & MOs

Info

ID:	306972
PubChem CID:	125264476
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	4.57
IP(EA), eV:	-9.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,7aS)-5-(ethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1,3-benzodioxol-5-yl)methanone

Drug info:

PubChemData

Smile

COCCC(=O)N1CC[C@H]2[C@H]1CCC(=O)N2C3=CC=CC=C3

DOS

IR

Vibrations