Geometry & MOs

Info

ID:	214136
PubChem CID:	81086996
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	291.161663
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	2.48
IP(EA), eV:	-9.09(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-1-(4-propylsulfonylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)N(C)CCC(C)C)CN

DOS

IR

Vibrations