Geometry & MOs

Info

ID:	83684
PubChem CID:	49860075
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	313.10413
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	1.83
IP(EA), eV:	-8.47(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-butylpiperidin-4-yl)phenol;hydrobromide

Drug info:

PubChemData

Smile

CN1CCC2=C(C=CC3=C2C(C1)CC3)OC.Br

DOS

IR

Vibrations