Geometry & MOs

Info

ID:	317462
PubChem CID:	126638140
Reduced:	O2F3N3H14C15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	353.088419
ΔH_f, kcal/mol:	-196.86
Dipole, Da:	4.97
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C=NC=C3)N(C(=C2)C(=O)N)CC(F)(F)F)C

DOS

IR

Vibrations