Geometry & MOs

Info

ID:	310102
PubChem CID:	126574408
Reduced:	BrN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	305.165188
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	3.07
IP(EA), eV:	-9.39(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[(2S,3S)-3-fluorobutan-2-yl]-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(CC2=CNC3=C(C=CC(=C23)Br)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations