Geometry & MOs

Info

ID:	246081
PubChem CID:	103043325
Reduced:	ClFNOC17H19 (1)
Stoich.:	ABCDE17F19 (1)
Weight, g/mol:	259.077535
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	3.34
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(CC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations