Geometry & MOs

Info

ID:	431153
PubChem CID:	135171223
Reduced:	OF3N3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	478.103494
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	2.44
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonyl-2-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]-6-(1,2,4-triazol-1-yl)pyridine

Drug info:

PubChemData

Smile

C1CC(CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)N

DOS

IR

Vibrations