Geometry & MOs

Info

ID:	421105
PubChem CID:	135115387
Reduced:	FN3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	3.73
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CC(C2)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations