Geometry & MOs

Info

ID:

165443

PubChem CID:

74549222

Reduced:

ClFNO4H10C11 (1)

Stoich.:

ABCD4E10F11 (1)

Weight, g/mol:

283.04856

ΔHf, kcal/mol:

-193.76

Dipole, Da:

4.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758704

Charge, e:

 -1

Chem-info

IUPAC name:

1-(4-chloro-2-nitrophenyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(C(=O)[O-])NC(=O)C1=C(C=CC(=C1)Cl)F)O

DOS

IR

Vibrations