Geometry & MOs

Info

ID:	444996
PubChem CID:	135264174
Reduced:	SN3C28H33 (1)
Stoich.:	AB3C28D33 (1)
Weight, g/mol:	481.195462
ΔH_f, kcal/mol:	60.64
Dipole, Da:	3.03
IP(EA), eV:	-7.61(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-10-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-4a,10a-dihydrophenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCC5=CC=CC=C5

DOS

IR

Vibrations