Geometry & MOs

Info

ID:	11946
PubChem CID:	124182
Reduced:	Cl2N2O4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	442.142613
ΔH_f, kcal/mol:	-186.88
Dipole, Da:	4.92
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one;dihydrochloride

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCCN(C)C.Cl.Cl

DOS

IR

Vibrations