Geometry & MOs

Info

ID:	364896
PubChem CID:	127316484
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	42.42
Dipole, Da:	3.84
IP(EA), eV:	-8.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyclobutylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations