Geometry & MOs

Info

ID:	215884
PubChem CID:	85085385
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	183.071785
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	1.95
IP(EA), eV:	-9.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-6-azatricyclo[4.3.0.02,4]nonan-5-one

Drug info:

PubChemData

Smile

CCC1(C2=NOCC2CO1)C(=O)C

DOS

IR

Vibrations