Geometry & MOs

Info

ID:	202684
PubChem CID:	79709811
Reduced:	BrFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	3.26
IP(EA), eV:	-8.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(ethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NCC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations