Geometry & MOs

Info

ID:	68592
PubChem CID:	46508715
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	47.1
Dipole, Da:	2.25
IP(EA), eV:	-9.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations