Geometry & MOs

Info

ID:

311902

PubChem CID:

126599149

Reduced:

N3O3C22H46 (1)

Stoich.:

A3B3C22D46 (1)

Weight, g/mol:

137.910698

ΔHf, kcal/mol:

-75.66

Dipole, Da:

1.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.756066

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(CC[N+]1(CCOCC1)C)C(CC[N+]2(CCOCC2)C)[N+]3(CCOCC3)C

DOS

IR

Vibrations