Geometry & MOs

Info

ID:	327870
PubChem CID:	126691187
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	456.148319
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	7.01
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9H-fluoren-9-yl)-N-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-3-amine

Drug info:

PubChemData

Smile

CN1CC[C@H](C1)N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N

DOS

IR

Vibrations