Geometry & MOs

Info

ID:	801
PubChem CID:	3372
Reduced:	OSF3N3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	437.174868
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	4.53
IP(EA), eV:	-7.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

DOS

IR

Vibrations