Geometry & MOs

Info

ID:	158531
PubChem CID:	56464138
Reduced:	OF3N7C19H26 (1)
Stoich.:	AB3C7D19E26 (1)
Weight, g/mol:	411.209282
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	11.55
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)N(C)C4CC4

DOS

IR

Vibrations