Geometry & MOs

Info

ID:	423707
PubChem CID:	135120054
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	329.246713
ΔH_f, kcal/mol:	25.7
Dipole, Da:	2.53
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(1-cyclopentylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC5=C(C=C4)C=C(C=C5)O

DOS

IR

Vibrations