Geometry & MOs

Info

ID:	71387
PubChem CID:	48414753
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	4.61
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations