Geometry & MOs

Info

ID:	294464
PubChem CID:	117462432
Reduced:	ClFO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	286.088434
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	3.58
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C(CC(=O)O)C2CC2)OC)F)Cl

DOS

IR

Vibrations