Geometry & MOs

Info

ID:	265816
PubChem CID:	103549249
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	2.16
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(methylaminomethyl)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)NCC2COCCN2)C

DOS

IR

Vibrations