Geometry & MOs

Info

ID:	306864
PubChem CID:	125263967
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	3.08
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-methylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CCOC[C@@H]1CC[C@H]2[C@H](O1)CCN2C(=O)C3=NOC(=C3)C

DOS

IR

Vibrations