Geometry & MOs

Info

ID:	444993
PubChem CID:	135264170
Reduced:	SN3C27H31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	463.184897
ΔH_f, kcal/mol:	59.01
Dipole, Da:	3.66
IP(EA), eV:	-7.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C

DOS

IR

Vibrations