Geometry & MOs

Info

ID:	287274
PubChem CID:	104234230
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	313.043648
ΔH_f, kcal/mol:	-40.86
Dipole, Da:	2.75
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations