Geometry & MOs

Info

ID:

222438

PubChem CID:

85300739

Reduced:

N2C15H21 (1)

Stoich.:

A2B15C21 (1)

Weight, g/mol:

329.072236

ΔHf, kcal/mol:

39.57

Dipole, Da:

2.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.285169

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-acetyloxy-3,4-dihydroxy-1-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC=[N+]2CCCC2

DOS

IR

Vibrations