Geometry & MOs

Info

ID:	317711
PubChem CID:	126645279
Reduced:	OF3N5C28H34 (1)
Stoich.:	AB3C5D28E34 (1)
Weight, g/mol:	372.181372
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	6.83
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CN(C2=C1C=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)N4CC(C4)C(=O)NCCN5CCN(CC5)C

DOS

IR

Vibrations