Geometry & MOs

Info

ID:	287244
PubChem CID:	104234154
Reduced:	BrNOF2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	269.121592
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	2.18
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(3-phenylprop-2-ynoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CC(=C(C=C2)F)Br)F)N

DOS

IR

Vibrations