Geometry & MOs

Info

ID:	303754
PubChem CID:	124490135
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	1.76
IP(EA), eV:	-8.66(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]-5,5-dimethyl-1,3-dioxane

Drug info:

PubChemData

Smile

CN[C@@H]1CCCC[C@H]1[C@@H](C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations