Geometry & MOs

Info

ID:	431009
PubChem CID:	135171079
Reduced:	FNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	379.096618
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	5.4
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H]1CCC2=C1C=CC(=C2)F

DOS

IR

Vibrations