Geometry & MOs

Info

ID:	287269
PubChem CID:	104234207
Reduced:	BrFNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	281.102749
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	1.16
IP(EA), eV:	-9.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC(=C)Br)F)N

DOS

IR

Vibrations