Geometry & MOs

Info

ID:	442397
PubChem CID:	135251824
Reduced:	OSN3C26H35 (1)
Stoich.:	ABC3D26E35 (1)
Weight, g/mol:	483.195604
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	5.69
IP(EA), eV:	-7.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCN4CCC(CC4)N5CCCC5

DOS

IR

Vibrations