Geometry & MOs

Info

ID:	27921
PubChem CID:	824160
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	342.093975
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	3.29
IP(EA), eV:	-9.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@]2(CS[C@@H]([C@H]1O)[C@H]2O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations