Geometry & MOs

Info

ID:	142180
PubChem CID:	52997066
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	455.16851
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	2.43
IP(EA), eV:	-7.94(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhept-2-yn-4-ol;iodide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CCCC3NCCOC

DOS

IR

Vibrations