Geometry & MOs

Info

ID:	205817
PubChem CID:	80162076
Reduced:	FON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	273.152892
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	1.95
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-butan-2-ylphenoxy)methyl]-2-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC(=C(C=C3)N)F

DOS

IR

Vibrations