Geometry & MOs

Info

ID:	134310
PubChem CID:	51677462
Reduced:	NF2O2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	450.324629
ΔH_f, kcal/mol:	-324.44
Dipole, Da:	3.32
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)OCC3=CC=CC=C3F

DOS

IR

Vibrations