Geometry & MOs

Info

ID:	246540
PubChem CID:	103061183
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	1.37
IP(EA), eV:	-8.64(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CCCCN(CC)CC1COCCC1O

DOS

IR

Vibrations