Geometry & MOs

Info

ID:	232075
PubChem CID:	87575389
Reduced:	SiO2C16H31 (1)
Stoich.:	AB2C16D31 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756919
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-1-enyl]-6-oxabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[Si](OCC)O/C(=C/C1CCCCCC1)/C

DOS

IR

Vibrations