Geometry & MOs

Info

ID:	392698
PubChem CID:	135017696
Reduced:	N3O3H15C19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	313.103355
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	4.72
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-chloro-4-(2-fluorophenyl)quinoline

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC2=NC(C3=CC4=CC=CC=C4N=C32)O

DOS

IR

Vibrations