Geometry & MOs

Info

ID:

409005

PubChem CID:

135081778

Reduced:

NO3C11H20 (1)

Stoich.:

AB3C11D20 (1)

Weight, g/mol:

388.248784

ΔHf, kcal/mol:

-128.71

Dipole, Da:

4.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755368

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC[CH]C(=O)N1[C@@H](CC[C@H]1OC)OC

DOS

IR

Vibrations