Geometry & MOs

Info

ID:	305418
PubChem CID:	124807183
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6R,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(naphthalen-1-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1C[C@H]2CN(C[C@H]2O1)C(=O)C3=CC=NO3

DOS

IR

Vibrations