Geometry & MOs

Info

ID:	287525
PubChem CID:	104246041
Reduced:	ON3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	4.55
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-cyclopentyl-2-pentan-3-yl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=O)NN2)N

DOS

IR

Vibrations