Geometry & MOs

Info

ID:	121215
PubChem CID:	50758960
Reduced:	O4N5C26H35 (1)
Stoich.:	A4B5C26D35 (1)
Weight, g/mol:	512.347489
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	6.45
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-N-cyclopentyl-6-methyl-4-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations