Geometry & MOs

Info

ID:	380151
PubChem CID:	134965176
Reduced:	O2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	258.234751
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	2.32
IP(EA), eV:	-10.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibutylpentacyclo[5.3.1.01,7.03,9.05,9]undecane

Drug info:

PubChemData

Smile

COC(=O)[C@]12C=CC1C3C2C(=O)C=CC3=O

DOS

IR

Vibrations