Geometry & MOs

Info

ID:	216387
PubChem CID:	85086138
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.189278
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	5.55
IP(EA), eV:	-9.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)ethyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

Drug info:

PubChemData

Smile

C1CCC23C(C1)CC(=O)N2CCC4=CC(=O)OCC34

DOS

IR

Vibrations