Geometry & MOs

Info

ID:

88603

PubChem CID:

49955667

Reduced:

ClNO3H19C20 (1)

Stoich.:

ABC3D19E20 (1)

Weight, g/mol:

348.046117

ΔHf, kcal/mol:

11.35

Dipole, Da:

5.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.207706

Charge, e:

 -1

Chem-info

IUPAC name:

3-[5-[(thiophen-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNCC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O.[Cl-]

DOS

IR

Vibrations