Geometry & MOs

Info

ID:	80782
PubChem CID:	49836692
Reduced:	FNSO5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	3.53
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-5-oxocyclohexyl)-2H-furan-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CCO)[C@@]([N+](=O)[O-])(F)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations