Geometry & MOs

Info

ID:	130945
PubChem CID:	51133099
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	4.46
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-N-(2-oxo-1H-pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=CO2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations