Geometry & MOs

Info

ID:	70722
PubChem CID:	48413775
Reduced:	ClFO2N4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-28.63
Dipole, Da:	4.74
IP(EA), eV:	-9.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations