Geometry & MOs

Info

ID:

29730

PubChem CID:

836760

Reduced:

N2C15H15 (1)

Stoich.:

A2B15C15 (1)

Weight, g/mol:

220.019415

ΔHf, kcal/mol:

71.42

Dipole, Da:

1.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898390

Charge, e:

 0

Chem-info

IUPAC name:

(2-hydroxyphenyl) thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=[N+](C2=CC=CC=C2N1C3=CC=CC=C3)C

DOS

IR

Vibrations