Geometry & MOs

Info

ID:	321583
PubChem CID:	126666643
Reduced:	SF2O4N6C25H26 (1)
Stoich.:	AB2C4D6E25F26 (1)
Weight, g/mol:	401.165188
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	18.9
IP(EA), eV:	-8.24(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-(indazol-2-ylmethyl)-1-(oxan-4-yl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CCC\1=CC(=O)C(=C/C1=C\2/C=C3C(=C(NN3)C(=O)NC)C(=N2)NC(C4=CC=CC=C4F)N(C)S(=O)(=O)C)F

DOS

IR

Vibrations