Geometry & MOs

Info

ID:

88602

PubChem CID:

49955666

Reduced:

ClNO3C17H21 (1)

Stoich.:

ABC3D17E21 (1)

Weight, g/mol:

356.105346

ΔHf, kcal/mol:

-79.14

Dipole, Da:

3.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753801

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC2=CC=C(C=C2)OCCO.[Cl-]

DOS

IR

Vibrations