Geometry & MOs

Info

ID:	431255
PubChem CID:	135171326
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	448.96482
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	1.64
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[5-iodo-4-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CCN([C@@H]1CC(=COC1)N)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations