Geometry & MOs

Info

ID:	184047
PubChem CID:	77104262
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	393.9463
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	1.74
IP(EA), eV:	-9.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1CNCC1NC(=O)C2=CN=CN2

DOS

IR

Vibrations