Geometry & MOs

Info

ID:	151106
PubChem CID:	53790804
Reduced:	O3C14H18 (2)
Stoich.:	A3B14C18 (2)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-232.62
Dipole, Da:	7.83
IP(EA), eV:	-8.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-sulfanylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCOC(C1)O[C@H]2CC3=C(C2)C(=C(CCCOC4=CC=CC=C4)OC5CCCCO5)C(=O)C3

DOS

IR

Vibrations