Geometry & MOs

Info

ID:	196484
PubChem CID:	78836797
Reduced:	FOSN4H19C25 (1)
Stoich.:	ABCD4E19F25 (1)
Weight, g/mol:	424.201159
ΔH_f, kcal/mol:	40.25
Dipole, Da:	3.16
IP(EA), eV:	-9.03(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3H-benzimidazol-5-yl(phenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)NC(=O)CC4=CSC(=N4)C5=CC(=CC=C5)F

DOS

IR

Vibrations