Geometry & MOs

Info

ID:

393097

PubChem CID:

135019332

Reduced:

ClN2O3C15H16 (1)

Stoich.:

AB2C3D15E16 (1)

Weight, g/mol:

307.084945

ΔHf, kcal/mol:

-89.91

Dipole, Da:

4.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.073190

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C2C=CC=C3C2=C(C[C@H](N[C-]1[O])C(=O)OC)C=[NH+]3)Cl

DOS

IR

Vibrations