Geometry & MOs

Info

ID:	442398
PubChem CID:	135251829
Reduced:	SF3N3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	497.211254
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	2.81
IP(EA), eV:	-8.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C5=CC=CC=C5

DOS

IR

Vibrations