Geometry & MOs

Info

ID:	288793
PubChem CID:	104325963
Reduced:	FNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	249.12774
ΔH_f, kcal/mol:	-178.34
Dipole, Da:	4.73
IP(EA), eV:	-8.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-fluoro-N-(2-pyrazol-1-ylethyl)aniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCC(=O)OC(C)(C)C)F

DOS

IR

Vibrations