Geometry & MOs

Info

ID:	291970
PubChem CID:	113995780
Reduced:	NOBr2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	279.084849
ΔH_f, kcal/mol:	27.71
Dipole, Da:	3.16
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(3-methylbutylsulfanylmethyl)quinoline

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1)Br)OCCC#C)Br)N

DOS

IR

Vibrations