Geometry & MOs

Info

ID:	127904
PubChem CID:	51022490
Reduced:	OC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	2.84
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,5S,6R)-2-hydroxy-8-azabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@@H]1C3C2(OC4=C(C3)C=CC(=C4)O)C5=C(C=C(C=C5)O)O

DOS

IR

Vibrations