Geometry & MOs

Info

ID:	140586
PubChem CID:	52724130
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	449.161853
ΔH_f, kcal/mol:	-132.42
Dipole, Da:	4.23
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)piperazin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC(=C(C=C3)OCC(=O)N)OC

DOS

IR

Vibrations