Geometry & MOs

Info

ID:	431010
PubChem CID:	135171080
Reduced:	OSF3N3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	337.083825
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	5.48
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=C(N=CC=C1)N2C(=C(C=N2)C3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations