Geometry & MOs

Info

ID:	132342
PubChem CID:	51346073
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	3.38
IP(EA), eV:	-9.32(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCCCCC1C2=CC=CO2

DOS

IR

Vibrations