Geometry & MOs

Info

ID:	294997
PubChem CID:	117511264
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	4.95
IP(EA), eV:	-8.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4,5-dimethoxy-2-(piperidin-3-ylmethyl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)OC)C2(CCCC2)N)Br

DOS

IR

Vibrations