Geometry & MOs

Info

ID:	422336
PubChem CID:	135117661
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	6.3
IP(EA), eV:	-8.85(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CO

DOS

IR

Vibrations