Geometry & MOs

Info

ID:	350549
PubChem CID:	127278517
Reduced:	NSO4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	1.3
IP(EA), eV:	-9.64(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(2-cyclobutylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

DOS

IR

Vibrations