Geometry & MOs

Info

ID:	218116
PubChem CID:	85088905
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	431.222035
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	7.41
IP(EA), eV:	-9.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-amino-5-methyl-4-propan-2-ylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C1(COCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5C4NC(NC5=O)N

DOS

IR

Vibrations