Geometry & MOs

Info

ID:	138502
PubChem CID:	52376086
Reduced:	BrO4N5C13H20 (1)
Stoich.:	AB4C5D13E20 (1)
Weight, g/mol:	137.095297
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	5.62
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-4-methylpyrazole

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C=C(C(=N1)[N+](=O)[O-])Br)N2CCOCC2

DOS

IR

Vibrations