Geometry & MOs

Info

ID:	183575
PubChem CID:	77042510
Reduced:	BrO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	342.06914
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	6.53
IP(EA), eV:	-9.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=N2)CN3CC(C(=O)NC3=O)Br

DOS

IR

Vibrations