Geometry & MOs

Info

ID:	147823
PubChem CID:	53787481
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	655.050141
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	2.92
IP(EA), eV:	-9.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(4-amino-2-methylphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid

Drug info:

PubChemData

Smile

CCCCC(=O)CCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations