Geometry & MOs

Info

ID:	248064
PubChem CID:	103078633
Reduced:	BrON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	223.106925
ΔH_f, kcal/mol:	38.7
Dipole, Da:	5.99
IP(EA), eV:	-7.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC(=C(C=C2)OC)Br)N

DOS

IR

Vibrations