Geometry & MOs

Info

ID:	419220
PubChem CID:	135107762
Reduced:	FN2O5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-169.84
Dipole, Da:	2.56
IP(EA), eV:	-9.43(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclopentyl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCC3(CCC3)CO)C(=O)O)F

DOS

IR

Vibrations