Geometry & MOs

Info

ID:	82418
PubChem CID:	49856010
Reduced:	FN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	4.07
IP(EA), eV:	-8.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCCC1=CNC2=C1C=C(C=C2)F

DOS

IR

Vibrations