Geometry & MOs

Info

ID:

14415

PubChem CID:

410945

Reduced:

NO4C11H20 (1)

Stoich.:

AB4C11D20 (1)

Weight, g/mol:

230.139233

ΔHf, kcal/mol:

-150.68

Dipole, Da:

1.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755333

Charge, e:

 1

Chem-info

IUPAC name:

diethyl 2-(1-methylaziridin-1-ium-1-yl)butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(=O)OCC)[N+]1(CC1)C

DOS

IR

Vibrations