Geometry & MOs

Info

ID:

179681

PubChem CID:

76519210

Reduced:

N3O4C10H16 (1)

Stoich.:

A3B4C10D16 (1)

Weight, g/mol:

243.121906

ΔHf, kcal/mol:

-153.31

Dipole, Da:

6.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764943

Charge, e:

 0

Chem-info

IUPAC name:

(2,4-dioxo-1,3-diazinan-5-yl)-pentylcarbamic acid

Drug info:

PubChemData

Smile

CCCCCN(C1CNC(=O)NC1=O)C(=O)[O-]

DOS

IR

Vibrations