Geometry & MOs

Info

ID:	293758
PubChem CID:	117400608
Reduced:	ClFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-148.56
Dipole, Da:	4.88
IP(EA), eV:	-9.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-fluoro-2-methoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(CC1=C(C(=CC=C1)Cl)C(C)(C)F)C(=O)O

DOS

IR

Vibrations