Geometry & MOs

Info

ID:	306907
PubChem CID:	125264297
Reduced:	OSN3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	1.2
Dipole, Da:	4.26
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,5S,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

CN(C)C[C@@H]1C[C@@H]2CN(CC[C@H]2N1CC3CC3)C(=O)C4=CSC=C4

DOS

IR

Vibrations