Geometry & MOs

Info

ID:	294702
PubChem CID:	117484080
Reduced:	SO6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	300.164934
ΔH_f, kcal/mol:	-226.76
Dipole, Da:	4.27
IP(EA), eV:	-9.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CS(=O)(=O)C2)O

DOS

IR

Vibrations