Geometry & MOs

Info

ID:	1709
PubChem CID:	4917
Reduced:	ClSN3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	373.137947
ΔH_f, kcal/mol:	39.05
Dipole, Da:	2.9
IP(EA), eV:	-7.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

DOS

IR

Vibrations