Geometry & MOs

Info

ID:	381994
PubChem CID:	134972891
Reduced:	O5H28C29 (1)
Stoich.:	A5B28C29 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	3.76
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4,4-dimethyl-6-prop-1-en-2-yl-3-oxabicyclo[3.2.1]octan-1-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1CCC2(CC1)O/C(=C\C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)/C(=O)O2

DOS

IR

Vibrations