Geometry & MOs

Info

ID:

376485

PubChem CID:

134222500

Reduced:

FO4N10H29C30 (1)

Stoich.:

AB4C10D29E30 (1)

Weight, g/mol:

770.473084

ΔHf, kcal/mol:

-40.76

Dipole, Da:

5.89

IP(EA), eV:

 -8.16(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-dodecyl 5-O-[2-[N-ethyl-4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethyl] 2-ethyl-2,4,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

C1COCCN1C2=CNC3=CN=C(C=C23)NC(=O)C4CC(CN4C(=O)CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)F

DOS

IR

Vibrations