Geometry & MOs

Info

ID:

227211

PubChem CID:

87560601

Reduced:

NO3C18H36 (1)

Stoich.:

AB3C18D36 (1)

Weight, g/mol:

330.959799

ΔHf, kcal/mol:

-136.21

Dipole, Da:

3.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752886

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCCCCCCCO)CCOC(=O)C=C

DOS

IR

Vibrations