Geometry & MOs

Info

ID:	288772
PubChem CID:	104325553
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	289.147807
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	4.87
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-ethoxy-3-fluoroanilino)propyl]phenol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=C(C=CC(=C2)Br)N)F

DOS

IR

Vibrations