Geometry & MOs

Info

ID:	8052
PubChem CID:	74835
Reduced:	OSCl3N3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	475.101867
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	6.38
IP(EA), eV:	-8.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl

DOS

IR

Vibrations