Geometry & MOs

Info

ID:	376126
PubChem CID:	134222129
Reduced:	FO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	383.175753
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	8.63
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)C(=O)N[C@H]2CN(C[C@H]2F)C(=O)OC(C)(C)C)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations