Geometry & MOs

Info

ID:	183574
PubChem CID:	77042509
Reduced:	BrO2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	340.05349
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	6.42
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=N2)CN3CC(C(=O)NC3=O)Br

DOS

IR

Vibrations