Geometry & MOs

Info

ID:	220573
PubChem CID:	85197856
Reduced:	O7C16H28 (1)
Stoich.:	A7B16C28 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-348.63
Dipole, Da:	3.08
IP(EA), eV:	-10.05(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8,8-dimethyl-5-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C1COC(O1)(C)C)(C(C2COC(O2)(C)C)OC(=O)C)O

DOS

IR

Vibrations