Geometry & MOs

Info

ID:	414312
PubChem CID:	135087268
Reduced:	F2O2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-119.97
Dipole, Da:	6.76
IP(EA), eV:	-9.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,7,8-trimethylquinolin-2-yl)morpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=NNC(=C2)C(F)F)O)CC3=CC=CC=N3

DOS

IR

Vibrations