Geometry & MOs

Info

ID:	287224
PubChem CID:	104234104
Reduced:	FON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	273.152892
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	4.34
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2C#N)F)N

DOS

IR

Vibrations