Geometry & MOs

Info

ID:	381843
PubChem CID:	134972689
Reduced:	O2C7H10 (3)
Stoich.:	A2B7C10 (3)
Weight, g/mol:	245.09664
ΔH_f, kcal/mol:	-261.34
Dipole, Da:	2.41
IP(EA), eV:	-9.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C/C(=C\COC1CCCCO1)/CC[C@@H]([C@@H](CO)O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations