Geometry & MOs

Info

ID:	9839
PubChem CID:	93755
Reduced:	NOF3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	299.149699
ΔH_f, kcal/mol:	-203.5
Dipole, Da:	5.78
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aR)-2-[4-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

Drug info:

PubChemData

Smile

C1CCN2CCC(C[C@H]2C1)(C3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations