Geometry & MOs

Info

ID:	46147
PubChem CID:	10522521
Reduced:	N2O4H16C21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	360.159769
ΔH_f, kcal/mol:	24.88
Dipole, Da:	4.41
IP(EA), eV:	-10.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@]3([C@H]2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC(=N3)C5=CC=CC=C5

DOS

IR

Vibrations