Geometry & MOs

Info

ID:	307004
PubChem CID:	125264625
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	3.73
Dipole, Da:	5.47
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,7aR)-1-(furan-3-ylmethyl)-N-methyl-N-(pyrimidin-5-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

Drug info:

PubChemData

Smile

CN(CC1=CN=CN=C1)[C@@H]2CN([C@@H]3[C@@H]2OCCC3)CC4=COC=C4

DOS

IR

Vibrations