Geometry & MOs

Info

ID:	306935
PubChem CID:	125264386
Reduced:	FO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	3.81
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,7aS)-1-(furan-3-ylmethyl)-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@H]1N(CC2)C3=NC=C(C=N3)F)CC4CCOCC4

DOS

IR

Vibrations