Geometry & MOs

Info

ID:	184049
PubChem CID:	77104558
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	284.104003
ΔH_f, kcal/mol:	-79.68
Dipole, Da:	5.32
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(=O)N(C1=O)CC2=C(C(=NN2CC)C)Cl

DOS

IR

Vibrations