Geometry & MOs

Info

ID:	170590
PubChem CID:	75256905
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	8.4
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(4-fluorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CC(NN2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4)OC

DOS

IR

Vibrations