Geometry & MOs

Info

ID:	244638
PubChem CID:	99376164
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	3.64
IP(EA), eV:	-9.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2=NN(C(=N2)C)C3=CC=CC=C3C(C)C

DOS

IR

Vibrations