Geometry & MOs

Info

ID:	125056
PubChem CID:	50908254
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	413.200237
ΔH_f, kcal/mol:	-149.72
Dipole, Da:	1.66
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-cyano-2-fluoro-3-hydroxy-4-octylphenyl)phenyl] ethyl carbonate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@](N[C@@H]1C2=CC=CC=N2)(CCCCN)C(=O)OC

DOS

IR

Vibrations