Geometry & MOs

Info

ID:	197277
PubChem CID:	78946336
Reduced:	SN3O3C9H15 (1)
Stoich.:	AB3C3D9E15 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	5.43
IP(EA), eV:	-9.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3,4-dimethylpiperazin-1-yl)-3-fluorophenyl]ethanol

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations