Geometry & MOs

Info

ID:

168229

PubChem CID:

74938588

Reduced:

O2N4C15H15 (1)

Stoich.:

A2B4C15D15 (1)

Weight, g/mol:

284.127326

ΔHf, kcal/mol:

27.36

Dipole, Da:

3.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764642

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-6-(N-phenylanilino)-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2NC(NC(=O)N2)[O-])C3=CC=CC=C3

DOS

IR

Vibrations