Geometry & MOs

Info

ID:	3457
PubChem CID:	9683
Reduced:	ClSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	333.119223
ΔH_f, kcal/mol:	64.59
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750962
Charge, e:	1

Chem-info

IUPAC name:

3-(2-chlorophenothiazin-10-yl)propyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations