Geometry & MOs

Info

ID:

411131

PubChem CID:

135083941

Reduced:

NOC9H10 (1)

Stoich.:

ABC9D10 (1)

Weight, g/mol:

220.115766

ΔHf, kcal/mol:

26.61

Dipole, Da:

1.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.881993

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1COC(=N1)[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations