Geometry & MOs

Info

ID:	444988
PubChem CID:	135264163
Reduced:	SO2N4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	449.169247
ΔH_f, kcal/mol:	59.32
Dipole, Da:	8.49
IP(EA), eV:	-7.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methylphenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations