Geometry & MOs

Info

ID:	28680
PubChem CID:	828917
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	2.18
IP(EA), eV:	-8.47(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,6-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2C)C)C)O

DOS

IR

Vibrations