Geometry & MOs

Info

ID:	306908
PubChem CID:	125264302
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	9.13
Dipole, Da:	3.71
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,5R,7aR)-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2CC3=CC(=CC=C3)C#N)O[C@@H]1COC4=CN=CC=C4

DOS

IR

Vibrations