Geometry & MOs

Info

ID:	442395
PubChem CID:	135251809
Reduced:	S2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	411.214447
ΔH_f, kcal/mol:	76.82
Dipole, Da:	2.36
IP(EA), eV:	-7.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]phenothiazine

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations