Geometry & MOs

Info

ID:	315168
PubChem CID:	126624744
Reduced:	O2N6C29H36 (1)
Stoich.:	A2B6C29D36 (1)
Weight, g/mol:	479.99625
ΔH_f, kcal/mol:	47.2
Dipole, Da:	9.79
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-[4-[4-(trifluoromethyl)pyridin-2-yl]phenoxy]pyrazolo[3,4-b]pyridin-1-yl]-methylphosphane

Drug info:

PubChemData

Smile

CN(C/C=C/C(=O)N1CCC[C@H]1CNC2=NNC3=NC=CC(=C32)OC4=CC=C(C=C4)C5CCC5)C6CC6

DOS

IR

Vibrations