Geometry & MOs

Info

ID:	437901
PubChem CID:	135227295
Reduced:	NOF2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	400.01982
ΔH_f, kcal/mol:	-234.62
Dipole, Da:	3.38
IP(EA), eV:	-9.44(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2N=C1C(C)C)C3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations