Geometry & MOs

Info

ID:	322312
PubChem CID:	126669709
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	5.62
IP(EA), eV:	-9.36(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3S,4S,9R)-9-amino-4-hydroxy-3-methyl-6-azabicyclo[3.2.2]nonan-6-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

COCC(=O)N1CC2C[C@H]3[C@@H](C1C(C2)N3)O

DOS

IR

Vibrations