Geometry & MOs

Info

ID:

229268

PubChem CID:

87567296

Reduced:

NC15Cl33 (1)

Stoich.:

AB15C33 (1)

Weight, g/mol:

338.126657

ΔHf, kcal/mol:

-48.13

Dipole, Da:

1.06

IP(EA), eV:

 -10.15(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1Z)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C(C(C(C(C(C(C(C(N(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(C(C(C(C(C(C(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl

DOS

IR

Vibrations