Geometry & MOs

Info

ID:	176850
PubChem CID:	76104843
Reduced:	N3H25C28 (1)
Stoich.:	A3B25C28 (1)
Weight, g/mol:	339.10665
ΔH_f, kcal/mol:	154.35
Dipole, Da:	4.55
IP(EA), eV:	-8.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,5-dimethoxy-2-nitrophenyl)methoxymethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(NNN1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations