Geometry & MOs

Info

ID:

135522

PubChem CID:

51885301

Reduced:

NO3H14C15 (1)

Stoich.:

AB3C14D15 (1)

Weight, g/mol:

241.086957

ΔHf, kcal/mol:

-55.77

Dipole, Da:

7.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.097699

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1CC3=C(OC=C3)C(=O)[O-]

DOS

IR

Vibrations