Geometry & MOs

Info

ID:	152134
PubChem CID:	56310999
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	2.82
IP(EA), eV:	-8.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations