Geometry & MOs

Info

ID:	1486
PubChem CID:	4583
Reduced:	FN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	361.143784
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	10.33
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

DOS

IR

Vibrations