Geometry & MOs

Info

ID:	182738
PubChem CID:	76933490
Reduced:	ClFON4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	294.18559
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	8.98
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-ethyl-N-(4-fluorophenyl)-5-propan-2-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C(C(NN1)C(=O)NC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations