Geometry & MOs

Info

ID:	444991
PubChem CID:	135264166
Reduced:	OSN3C27H31 (1)
Stoich.:	ABC3D27E31 (1)
Weight, g/mol:	431.239519
ΔH_f, kcal/mol:	29.81
Dipole, Da:	4.22
IP(EA), eV:	-7.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-10-[4-(4-phenylpiperazin-1-yl)butyl]-4a,10a-dihydrophenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations