Geometry & MOs

Info

ID:	294222
PubChem CID:	117438463
Reduced:	SO5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	274.148141
ΔH_f, kcal/mol:	-201.95
Dipole, Da:	5.23
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(1-isocyanatocyclobutyl)phenyl]piperidine

Drug info:

PubChemData

Smile

CC(CC1=C(C(=C(C=C1)S(=O)(=O)C)OC)OC)O

DOS

IR

Vibrations