Geometry & MOs

Info

ID:	244221
PubChem CID:	99319461
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	5.95
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-(1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC=CC=C2N(C)S(=O)(=O)C

DOS

IR

Vibrations