Geometry & MOs

Info

ID:	121208
PubChem CID:	50758879
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	2.96
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(cyclopentylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC(=CC(=C3)C)C)(C)C(=O)NC4CCCCC4

DOS

IR

Vibrations