Geometry & MOs

Info

ID:	121205
PubChem CID:	50758802
Reduced:	ClN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	469.248918
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	3.38
IP(EA), eV:	-9.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-6-N-cyclopentyl-2-N-(4-fluoro-2-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=C(C(=CC=C3)Cl)C)(C)C(=O)NC4CCC(CC4)C

DOS

IR

Vibrations