Geometry & MOs

Info

ID:	246131
PubChem CID:	103046228
Reduced:	ClFNO2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	293.09827
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	1.95
IP(EA), eV:	-7.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N)OCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations