Geometry & MOs

Info

ID:	47810
PubChem CID:	10535440
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	1.19
IP(EA), eV:	-9.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,6S)-4-cyclohexyl-3,7-dioxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1(C(O1)C(=O)C(C)(C)C)CC=C

DOS

IR

Vibrations