Geometry & MOs

Info

ID:	408031
PubChem CID:	135080786
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	176.121258
ΔH_f, kcal/mol:	-126.48
Dipole, Da:	1.22
IP(EA), eV:	-9.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-octan-2-yl] carbonofluoridate

Drug info:

PubChemData

Smile

CCC(=O)C(C)C1=CC=C(C=C1)C(=O)OCC

DOS

IR

Vibrations