Geometry & MOs

Info

ID:	148137
PubChem CID:	53787799
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	362.068983
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	2.45
IP(EA), eV:	-8.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-6,7-difluoro-5-(methylamino)-4-oxo-8-(trifluoromethyl)quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC(=O)N)N2C=C3C=CC=CC3=C2O)OC

DOS

IR

Vibrations