Geometry & MOs

Info

ID:	28563
PubChem CID:	828368
Reduced:	BrNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	317.159121
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	5.69
IP(EA), eV:	-9.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,6R)-2,6-bis(4-fluorophenyl)-3,4-dimethylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=C(C=C1)Br)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations