Geometry & MOs

Info

ID:

12192

PubChem CID:

132115

Reduced:

N2O5C34H59 (1)

Stoich.:

A2B5C34D59 (1)

Weight, g/mol:

575.442398

ΔHf, kcal/mol:

-286.14

Dipole, Da:

2.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.965798

Charge, e:

 1

Chem-info

IUPAC name:

(5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C

DOS

IR

Vibrations