Geometry & MOs

Info

ID:	169755
PubChem CID:	75143922
Reduced:	SO3N4C25H38 (1)
Stoich.:	AB3C4D25E38 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	4.33
IP(EA), eV:	-8.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzodioxol-5-yl)-5-propylpyrazolidin-4-yl]-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=NC(=O)C3C4=C(CCCCC4)SC3=N2)CC(CN5CCOCC5)O

DOS

IR

Vibrations