Geometry & MOs

Info

ID:	9535
PubChem CID:	90611
Reduced:	ClN3O5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	423.156099
ΔH_f, kcal/mol:	10.57
Dipole, Da:	19.88
IP(EA), eV:	-8.82(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;perchlorate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations