Geometry & MOs

Info

ID:	55696
PubChem CID:	17395852
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	9.2
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations