Geometry & MOs

Info

ID:	35167
PubChem CID:	7979410
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	2.0
IP(EA), eV:	-8.22(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC[C@@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O

DOS

IR

Vibrations