Geometry & MOs

Info

ID:	419893
PubChem CID:	135109617
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	63.6
Dipole, Da:	4.23
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethylpyridin-3-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=NNN=C5C=C4

DOS

IR

Vibrations