Geometry & MOs

Info

ID:	4033
PubChem CID:	10619
Reduced:	BrNOC19H32 (1)
Stoich.:	ABCD19E32 (1)
Weight, g/mol:	369.16673
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	10.92
IP(EA), eV:	-7.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol;bromide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)C(CC[N+]2(CCCCC2)C)O.[Br-]

DOS

IR

Vibrations