Geometry & MOs

Info

ID:	162622
PubChem CID:	57410789
Reduced:	ON3C14H14 (2)
Stoich.:	AB3C14D14 (2)
Weight, g/mol:	545.188148
ΔH_f, kcal/mol:	36.62
Dipole, Da:	6.8
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)quinolin-3-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)C(=O)N[C@@H]4CCC[C@@](C4)(CN5C6=CC=CC=C6C=N5)O

DOS

IR

Vibrations