Geometry & MOs

Info

ID:	121216
PubChem CID:	50758961
Reduced:	O3N6C28H44 (1)
Stoich.:	A3B6C28D44 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	6.39
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopentylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)N4CCC(CC4)N5CCCCC5

DOS

IR

Vibrations