Geometry & MOs

Info

ID:	226640
PubChem CID:	87550950
Reduced:	F3N3O4C22H32 (1)
Stoich.:	A3B3C4D22E32 (1)
Weight, g/mol:	380.18667
ΔH_f, kcal/mol:	-329.3
Dipole, Da:	6.05
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-aminooxan-4-yl)-2-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@@H](CN(C1=C(C=CC(=C1)N2CCN(CC2)C)C(=O)OC(C)(C)C)C(=O)C(F)(F)F)OC

DOS

IR

Vibrations