Geometry & MOs

Info

ID:	326340
PubChem CID:	126687359
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	372.221306
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	3.94
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(3S,4R)-3-[3-(4-fluorophenyl)propyl]-4-(hydroxymethyl)pyrrolidin-1-yl]propan-2-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3)O)C4=CC5=C(C=C4)NC(=O)CC5

DOS

IR

Vibrations