Geometry & MOs

Info

ID:	399911
PubChem CID:	135043756
Reduced:	NO2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	268.185857
ΔH_f, kcal/mol:	5.86
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754995
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ylidene]ethoxy]silane

Drug info:

PubChemData

Smile

C#CC1=CC=C(C=C1)CC(C(=O)O)[NH3+]

DOS

IR

Vibrations