Geometry & MOs

Info

ID:	402283
PubChem CID:	135055345
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	695.330941
ΔH_f, kcal/mol:	-222.64
Dipole, Da:	2.89
IP(EA), eV:	-9.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C1=C2COC[C@H]2[C@@H]3COCC3=C1C(=O)OC

DOS

IR

Vibrations