Geometry & MOs

Info

ID:	227301
PubChem CID:	87561147
Reduced:	ClOH11C16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	806.78396
ΔH_f, kcal/mol:	9.31
Dipole, Da:	3.47
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(trioctylazaniumyl)propanedioate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC2=CC3=CC=CC=C3C=C21)Cl

DOS

IR

Vibrations