Geometry & MOs

Info

ID:	9840
PubChem CID:	93759
Reduced:	FNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	261.152892
ΔH_f, kcal/mol:	-74.82
Dipole, Da:	3.67
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCN2CC[C@H](C[C@H]2C1)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations