Geometry & MOs

Info

ID:	447194
PubChem CID:	135281072
Reduced:	ClN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	631.362447
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	3.02
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3,6-bis(dimethylamino)-9H-xanthen-9-yl]oxy-[3-[5-carboxypentyl(methyl)amino]-3-oxopropyl]-oxophosphanium;N,N-diethylethanamine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations