Geometry & MOs

Info

ID:

7594

PubChem CID:

73463

Reduced:

NOC6H6 (6)

Stoich.:

ABC6D6 (6)

Weight, g/mol:

648.269633

ΔHf, kcal/mol:

-66.92

Dipole, Da:

3.13

IP(EA), eV:

 -8.91(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-methoxy-4-[3-methoxy-4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methylphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4C)OC)OC

DOS

IR

Vibrations