Geometry & MOs

Info

ID:	294389
PubChem CID:	117457382
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	4.53
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3,4-dimethyl-2-piperidin-2-ylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)Br)O)C2CCCCN2

DOS

IR

Vibrations