Geometry & MOs

Info

ID:	367782
PubChem CID:	127325818
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-23.59
Dipole, Da:	3.15
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-6-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations