Geometry & MOs

Info

ID:	56204
PubChem CID:	17422530
Reduced:	FO3N6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	350.081302
ΔH_f, kcal/mol:	-86.05
Dipole, Da:	4.62
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C)CC2=NC(=NO2)C3=CC=C(C=C3)F)N

DOS

IR

Vibrations