Geometry & MOs

Info

ID:	49502
PubChem CID:	11533128
Reduced:	ClF2O2N5H18C24 (1)
Stoich.:	AB2C2D5E18F24 (1)
Weight, g/mol:	481.224453
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	3.72
IP(EA), eV:	-8.83(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-6-cyclobutyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN(N=N2)CC(=O)N)C(=O)C3=C(C=C(C=C3)NC4=C(C=C(C=C4)F)F)Cl

DOS

IR

Vibrations