Geometry & MOs

Info

ID:	416592
PubChem CID:	135089757
Reduced:	FOSN3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	3.04
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F)CO

DOS

IR

Vibrations