Geometry & MOs

Info

ID:	185938
PubChem CID:	77371425
Reduced:	N4O5C23H26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-184.53
Dipole, Da:	6.66
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-cyclopropyl-6-fluoro-7-[7-methyl-4-(methylamino)-1,3,3a,4,5,6-hexahydroisoindol-2-yl]-4-oxoquinolin-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CC3=CC=CC=C3)(CC(=O)O)N

DOS

IR

Vibrations