Geometry & MOs

Info

ID:	336342
PubChem CID:	127255349
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	409.118632
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	4.2
IP(EA), eV:	-8.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)NCC2=NC(=NO2)C)C

DOS

IR

Vibrations