Geometry & MOs

Info

ID:	421513
PubChem CID:	135116152
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	324.108562
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	2.79
IP(EA), eV:	-8.6(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=NC=C1)NCCC(C)OC

DOS

IR

Vibrations