Geometry & MOs

Info

ID:	134053
PubChem CID:	51633586
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	406.306967
ΔH_f, kcal/mol:	11.55
Dipole, Da:	2.07
IP(EA), eV:	-8.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CCC[C@@H](C3)N4CCOCC4)C

DOS

IR

Vibrations