Geometry & MOs

Info

ID:

393096

PubChem CID:

135019329

Reduced:

ClN2O3C15H18 (1)

Stoich.:

AB2C3D15E18 (1)

Weight, g/mol:

307.084945

ΔHf, kcal/mol:

-109.53

Dipole, Da:

0.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.094841

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C(=O)N[C@@H](CC1=C2CC=CC=C2[NH+]=C1)C(=O)OC)Cl

DOS

IR

Vibrations