Geometry & MOs

Info

ID:	196961
PubChem CID:	78901940
Reduced:	NSF3O4C13H16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	422.125802
ΔH_f, kcal/mol:	-311.44
Dipole, Da:	3.37
IP(EA), eV:	-9.79(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations