Geometry & MOs

Info

ID:

376516

PubChem CID:

134222534

Reduced:

NOC6H7 (8)

Stoich.:

ABC6D7 (8)

Weight, g/mol:

610.145753

ΔHf, kcal/mol:

-86.33

Dipole, Da:

11.62

IP(EA), eV:

 -8.38(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-ethylanilino]ethyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)OCCN(CC)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4OC)N=NC5=CC=C(C=C5)[N+](=O)[O-])OC)C(=O)O)N

DOS

IR

Vibrations