Geometry & MOs

Info

ID:	417851
PubChem CID:	135102910
Reduced:	NF3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-290.34
Dipole, Da:	4.38
IP(EA), eV:	-9.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(3-propan-2-yloxyphenoxy)ethyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations