Geometry & MOs

Info

ID:	31893
PubChem CID:	3722915
Reduced:	FNO3H18C25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-52.31
Dipole, Da:	5.14
IP(EA), eV:	-9.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-acetyl-3-methyl-5-oxopyrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)OCC6=CC=C(C=C6)F

DOS

IR

Vibrations