Geometry & MOs

Info

ID:	326374
PubChem CID:	126687422
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	1.17
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-[3-(4-fluorophenyl)propyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations