Geometry & MOs

Info

ID:	68580
PubChem CID:	46508691
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-173.11
Dipole, Da:	2.24
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)CN(CC)CC2=CC3=C(C=C2)OCO3)C(=O)OCC

DOS

IR

Vibrations