Geometry & MOs

Info

ID:	151923
PubChem CID:	56310750
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	2.33
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations