Geometry & MOs

Info

ID:	172964
PubChem CID:	75575872
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	446.21184
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	5.76
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-(2-methylpropylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=NO)N

DOS

IR

Vibrations