Geometry & MOs

Info

ID:	444994
PubChem CID:	135264172
Reduced:	ClSN3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	463.184897
ΔH_f, kcal/mol:	53.23
Dipole, Da:	1.6
IP(EA), eV:	-7.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCN4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations