Geometry & MOs

Info

ID:	162601
PubChem CID:	57410659
Reduced:	OF2N4H26C27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	541.237685
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	5.16
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)C(=O)N[C@@H]4CCCC(C4)(CC5=CC=CC=C5F)F

DOS

IR

Vibrations