Geometry & MOs

Info

ID:	174994
PubChem CID:	75842981
Reduced:	N2O2F3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	380.110711
ΔH_f, kcal/mol:	-222.94
Dipole, Da:	2.24
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(3-fluorophenyl)ethylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN1CC2=CC(=CC=C2)OCC(F)(F)F

DOS

IR

Vibrations