Geometry & MOs

Info

ID:	293598
PubChem CID:	117394014
Reduced:	FSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	256.13872
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	1.89
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,3-difluoro-4-(methoxymethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

C1C(CO1)SC2=C(C=C(C=C2)CCC(=O)O)F

DOS

IR

Vibrations