Geometry & MOs

Info

ID:	11499
PubChem CID:	116399
Reduced:	ClNSC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	355.116149
ΔH_f, kcal/mol:	35.8
Dipole, Da:	2.32
IP(EA), eV:	-8.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

DOS

IR

Vibrations