Geometry & MOs

Info

ID:	293759
PubChem CID:	117400625
Reduced:	ClFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	3.79
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Cl)F)CN2CCNCC2

DOS

IR

Vibrations