Geometry & MOs

Info

ID:	213280
PubChem CID:	81063329
Reduced:	ClFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	3.65
IP(EA), eV:	-9.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(quinoline-2-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations