Geometry & MOs

Info

ID:	407572
PubChem CID:	135080320
Reduced:	OCl2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	2.14
IP(EA), eV:	-9.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H](CCl)Cl

DOS

IR

Vibrations