Geometry & MOs

Info

ID:	315179
PubChem CID:	126624801
Reduced:	PO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	466.130711
ΔH_f, kcal/mol:	33.53
Dipole, Da:	3.35
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-methylphosphanyl-4-(4-phenoxyphenoxy)pyrazolo[3,4-b]pyridin-3-yl]amino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)N)OC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations