Geometry & MOs

Info

ID:	363744
PubChem CID:	127313382
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	9.81
IP(EA), eV:	-8.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations