Geometry & MOs

Info

ID:	389058
PubChem CID:	134991023
Reduced:	N2O4H8C9 (2)
Stoich.:	A2B4C8D9 (2)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	2.75
IP(EA), eV:	-9.36(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)CC2=CC(=C(C(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations