Geometry & MOs

Info

ID:	5018
PubChem CID:	12454
Reduced:	ClOSN2C22H25 (1)
Stoich.:	ABCD2E22F25 (1)
Weight, g/mol:	400.137612
ΔH_f, kcal/mol:	4.49
Dipole, Da:	1.77
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

DOS

IR

Vibrations