Geometry & MOs

Info

ID:

57135

PubChem CID:

22395379

Reduced:

NO4C11H18 (1)

Stoich.:

AB4C11D18 (1)

Weight, g/mol:

80.989723

ΔHf, kcal/mol:

-98.25

Dipole, Da:

1.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780988

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)ONC(=O)C(CC1CC1)C(=O)[O-]

DOS

IR

Vibrations