Geometry & MOs

Info

ID:	376091
PubChem CID:	134222094
Reduced:	FO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	411.207053
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	8.93
IP(EA), eV:	-8.67(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)N(C)[C@@H]2CN(CC[C@@H]2F)C(=O)OC(C)(C)C)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations