Geometry & MOs

Info

ID:	121843
PubChem CID:	50783584
Reduced:	FO3N4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	3.46
IP(EA), eV:	-8.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopentanecarbonylamino)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=NC(=C3)C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations