Geometry & MOs

Info

ID:	190241
PubChem CID:	77975280
Reduced:	O4N6C11H18 (1)
Stoich.:	A4B6C11D18 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	6.33
IP(EA), eV:	-9.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-5-pyridin-4-ylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC1C(C(=O)N1OCC2=NNN=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations