Geometry & MOs

Info

ID:	184048
PubChem CID:	77104557
Reduced:	Br2O2N4C11H14 (1)
Stoich.:	A2B2C4D11E14 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-60.0
Dipole, Da:	5.7
IP(EA), eV:	-9.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CN2CC(C(=O)NC2=O)Br

DOS

IR

Vibrations