Geometry & MOs

Info

ID:	5900
PubChem CID:	13983
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	7.2
Dipole, Da:	0.59
IP(EA), eV:	-7.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C

DOS

IR

Vibrations