Geometry & MOs

Info

ID:	81861
PubChem CID:	49855266
Reduced:	NOC9H16 (2)
Stoich.:	ABC9D16 (2)
Weight, g/mol:	479.185649
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.34
IP(EA), eV:	-7.85(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-benzoyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCN1C2=C(C(C(C2)(C)N3CCCCC3C)O)O

DOS

IR

Vibrations