Geometry & MOs

Info

ID:	28827
PubChem CID:	829900
Reduced:	O2F3N3H12C16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	282.093918
ΔH_f, kcal/mol:	-149.56
Dipole, Da:	3.05
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine

Drug info:

PubChemData

Smile

C1C(=NN([C@]1(C(F)(F)F)O)C(=O)C2=CN=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations