Geometry & MOs

Info

ID:	1310
PubChem CID:	4139
Reduced:	SN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	284.122144
ΔH_f, kcal/mol:	71.36
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.505634
Charge, e:	1

Chem-info

IUPAC name:

[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

DOS

IR

Vibrations