Geometry & MOs

Info

ID:	28661
PubChem CID:	828829
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	4.36
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NC[C@@H]2CCCO2

DOS

IR

Vibrations