Geometry & MOs

Info

ID:	52472
PubChem CID:	12015344
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-220.02
Dipole, Da:	2.92
IP(EA), eV:	-9.61(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H](C1(C)C)C(=O)NCCCO)C(=O)O

DOS

IR

Vibrations