Geometry & MOs

Info

ID:	351477
PubChem CID:	127280365
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-155.77
Dipole, Da:	4.65
IP(EA), eV:	-8.71(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations