Geometry & MOs

Info

ID:

88618

PubChem CID:

49955748

Reduced:

ClFNO3C17H20 (1)

Stoich.:

ABCD3E17F20 (1)

Weight, g/mol:

240.079131

ΔHf, kcal/mol:

-91.34

Dipole, Da:

2.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.773673

Charge, e:

 -1

Chem-info

IUPAC name:

cyclopentyl 4-aminobenzoate;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)F)OCCO.[Cl-]

DOS

IR

Vibrations