Geometry & MOs

Info

ID:	259532
PubChem CID:	103167505
Reduced:	BrNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	243.058155
ΔH_f, kcal/mol:	-1.0
Dipole, Da:	1.82
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(2-chloro-3-cyclobutylpropyl)pyridine

Drug info:

PubChemData

Smile

C1CC(C1)CC(CC2=NC3=CC=CC=C3O2)Br

DOS

IR

Vibrations