Geometry & MOs

Info

ID:	376127
PubChem CID:	134222130
Reduced:	FO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	7.88
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations