Geometry & MOs

Info

ID:	306723
PubChem CID:	125235775
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	5.3
IP(EA), eV:	-8.86(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6R,6aS)-4-(pyridin-4-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(OC1)C(=O)[C@@H]2CN(C[C@@H]3[C@@H]2CCO3)CC4=COC=C4

DOS

IR

Vibrations