Geometry & MOs

Info

ID:	310351
PubChem CID:	126579171
Reduced:	NH17C25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	283.060449
ΔH_f, kcal/mol:	224.85
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC=C5)C6=CC7=CC=CC=C7C(=N6)C8=CC=CC=C8C9=CC=NC=C9

DOS

IR

Vibrations