Geometry & MOs

Info

ID:	11468
PubChem CID:	115962
Reduced:	SN2O2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	396.187149
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	4.3
IP(EA), eV:	-8.37(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(3-methoxythioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CCCN3CCN(CC3)CCO)C4=CC=CC=C4S2

DOS

IR

Vibrations