Geometry & MOs

Info

ID:	294345
PubChem CID:	117453868
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	282.174356
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	6.5
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]methyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC)SC)C2(CC2)CC(=O)O

DOS

IR

Vibrations