Geometry & MOs

Info

ID:	324367
PubChem CID:	126677522
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-233.44
Dipole, Da:	2.29
IP(EA), eV:	-8.92(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzyl-1-(4-methoxyphenyl)piperazin-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)CO)C2=CC=C(C=C2)OCCO

DOS

IR

Vibrations