Geometry & MOs

Info

ID:	28679
PubChem CID:	828912
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	3.27
IP(EA), eV:	-8.63(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H](CN2CCC3=CC=CC=C3C2)O)C(C)C

DOS

IR

Vibrations