Geometry & MOs

Info

ID:	444986
PubChem CID:	135264161
Reduced:	SN3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	463.184897
ΔH_f, kcal/mol:	68.28
Dipole, Da:	3.61
IP(EA), eV:	-7.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations