Geometry & MOs

Info

ID:

216407

PubChem CID:

85086191

Reduced:

ON4H13C15 (1)

Stoich.:

AB4C13D15 (1)

Weight, g/mol:

265.131408

ΔHf, kcal/mol:

80.38

Dipole, Da:

0.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.139258

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-butoxyphenyl)methylideneamino]oxypropanoic acid

Drug info:

PubChemData

Smile

C[N+]1=NC(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations