Geometry & MOs

Info

ID:	386425
PubChem CID:	134981702
Reduced:	BrNC5H6 (1)
Stoich.:	ABC5D6 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	35.39
Dipole, Da:	4.43
IP(EA), eV:	-10.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,9aS)-6-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

Drug info:

PubChemData

Smile

CC/C=C(/C#N)\Br

DOS

IR

Vibrations