Geometry & MOs

Info

ID:

45520

PubChem CID:

10514479

Reduced:

NCl3H5C7 (1)

Stoich.:

AB3C5D7 (1)

Weight, g/mol:

245.068808

ΔHf, kcal/mol:

32.45

Dipole, Da:

2.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.164621

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-(5-methoxyfuran-2-yl)methylideneamino] benzoate

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C(=C(Cl)Cl)Cl

DOS

IR

Vibrations