Geometry & MOs

Info

ID:

88600

PubChem CID:

49955656

Reduced:

ClNO3C18H21 (1)

Stoich.:

ABC3D18E21 (1)

Weight, g/mol:

320.105346

ΔHf, kcal/mol:

-59.81

Dipole, Da:

4.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751578

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O.[Cl-]

DOS

IR

Vibrations