Geometry & MOs

Info

ID:	353493
PubChem CID:	127285070
Reduced:	SN2O4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-199.99
Dipole, Da:	2.94
IP(EA), eV:	-8.99(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CCCC1)C(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations