Geometry & MOs

Info

ID:	171782
PubChem CID:	75427249
Reduced:	BrFO2N3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	7.04
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC(=O)CNC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations