Geometry & MOs

Info

ID:	30457
PubChem CID:	841359
Reduced:	FNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	336.138639
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	5.83
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations