Geometry & MOs

Info

ID:	32344
PubChem CID:	6436627
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	442.148177
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	2.02
IP(EA), eV:	-9.2(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate

Drug info:

PubChemData

Smile

C/C=C(/C)\C1CCC(O1)(C)C

DOS

IR

Vibrations