Geometry & MOs

Info

ID:

232925

PubChem CID:

87577696

Reduced:

NO2C10H12 (1)

Stoich.:

AB2C10D12 (1)

Weight, g/mol:

129.078979

ΔHf, kcal/mol:

-17.57

Dipole, Da:

2.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756078

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1C(N(CO1)[O-])CC2=CC=CC=C2

DOS

IR

Vibrations