Geometry & MOs

Info

ID:	129354
PubChem CID:	51072352
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	336.123383
ΔH_f, kcal/mol:	51.76
Dipole, Da:	7.86
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-nitrophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=NN3

DOS

IR

Vibrations