Geometry & MOs

Info

ID:	230418
PubChem CID:	87570853
Reduced:	FN2O8C22H31 (1)
Stoich.:	AB2C8D22E31 (1)
Weight, g/mol:	430.099667
ΔH_f, kcal/mol:	-364.01
Dipole, Da:	4.5
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropyrimidin-4-yl)-6-fluoro-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations