Geometry & MOs

Info

ID:	340661
PubChem CID:	127262672
Reduced:	NPO2H24C36 (1)
Stoich.:	ABC2D24E36 (1)
Weight, g/mol:	629.0803
ΔH_f, kcal/mol:	65.47
Dipole, Da:	4.61
IP(EA), eV:	-8.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-ethylphenothiazin-3-yl)methyl-triphenylphosphanium;iodide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC(=C54)N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations