Geometry & MOs

Info

ID:	429455
PubChem CID:	135169504
Reduced:	BrFO2N3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	308.03244
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	5.4
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-fluoro-4-piperidin-1-ylquinoline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=CC1CCCN(C1)C2=C3C=C(C=C(C3=NC=C2)F)Br

DOS

IR

Vibrations