Geometry & MOs

Info

ID:	68581
PubChem CID:	46508693
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	18.64
Dipole, Da:	3.79
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NC(C)CCC4=CC=CC=C4)C

DOS

IR

Vibrations