Geometry & MOs

Info

ID:	26787
PubChem CID:	798361
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	272.023166
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	1.47
IP(EA), eV:	-8.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3,5-dimethylpyrazol-1-yl)-(4-chloro-1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NO)OCC2=CC=CC=C2F

DOS

IR

Vibrations