Geometry & MOs

Info

ID:	177625
PubChem CID:	76204468
Reduced:	FON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	4.37
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-nitrobut-1-enyl)-1-phenylpyrazole

Drug info:

PubChemData

Smile

CCOCCC1C(C(NN1)N)C2=CC=CC=C2F

DOS

IR

Vibrations