Geometry & MOs

Info

ID:	287430
PubChem CID:	104242075
Reduced:	ClNF2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	2.91
IP(EA), eV:	-9.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminopyridin-2-yl)-5-cyclopentyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC3=CC(=C(C=C3C(=C2)Cl)F)F

DOS

IR

Vibrations