Geometry & MOs

Info

ID:

135553

PubChem CID:

51891356

Reduced:

Cl2N3C12H16 (1)

Stoich.:

A2B3C12D16 (1)

Weight, g/mol:

206.105528

ΔHf, kcal/mol:

64.67

Dipole, Da:

3.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752542

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(1,3-benzoxazol-2-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

C[NH+](C)CCN[C@H](C#N)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations