Geometry & MOs

Info

ID:	48248
PubChem CID:	10538271
Reduced:	O4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-230.61
Dipole, Da:	3.36
IP(EA), eV:	-10.53(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7R,10S)-10-benzyl-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decane

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations