Geometry & MOs

Info

ID:	167507
PubChem CID:	74838439
Reduced:	F2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	2.77
IP(EA), eV:	-8.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-(1,3-benzodioxol-5-yl)-5-methylpyrazolidin-4-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(C(NN2)C3CC3)NC(=O)C4=CC(=CC(=C4)F)F)OC

DOS

IR

Vibrations