Geometry & MOs

Info

ID:	407640
PubChem CID:	135080390
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	234.080456
ΔH_f, kcal/mol:	77.46
Dipole, Da:	2.87
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-fluoro-1H-pyrazol-5-yl)benzoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations