Geometry & MOs

Info

ID:	306889
PubChem CID:	125264194
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	3.45
IP(EA), eV:	-9.11(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,3aR,7aS)-3-[furan-2-ylmethyl(methyl)amino]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C[C@@H]([C@@H]3[C@H]2CCCO3)NC(=O)C4CC4

DOS

IR

Vibrations