Geometry & MOs

Info

ID:	245564
PubChem CID:	99453878
Reduced:	ClFO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	448.165917
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	3.19
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)[C@@H](C)OC2=CC(=CC=C2)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations