Geometry & MOs

Info

ID:

403428

PubChem CID:

135060215

Reduced:

NO4C12H23 (1)

Stoich.:

AB4C12D23 (1)

Weight, g/mol:

205.131408

ΔHf, kcal/mol:

-225.07

Dipole, Da:

3.2

IP(EA), eV:

-9.75(0.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-1,1-dimethoxy-2-(nitromethyl)hexane

Drug info:

PubChemData

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C[C@@H]([C@@H]([C@H](C)NC(=O)OC(C)(C)C)O)C(=O)C

DOS

IR

Vibrations