Geometry & MOs

Info

ID:	215940
PubChem CID:	85085473
Reduced:	SO2N3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	50.84
Dipole, Da:	9.37
IP(EA), eV:	-8.9(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydroxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CN(C)N=CC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations