Geometry & MOs

Info

ID:	187252
PubChem CID:	77551092
Reduced:	FSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	369.195346
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	4.52
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-1-yl)-6-N-[(3-methylimidazol-4-yl)methyl]quinoline-2,6-diamine

Drug info:

PubChemData

Smile

CCC(=O)NC1CC2=C(C=C(C=N2)NS(=O)(=O)C3=CC=C(C=C3)C(C)CF)OC1

DOS

IR

Vibrations