Geometry & MOs

Info

ID:	287216
PubChem CID:	104234068
Reduced:	OF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	341.02268
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	2.19
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=NC=CN2C(F)F)F)N

DOS

IR

Vibrations