Geometry & MOs

Info

ID:	408620
PubChem CID:	135081388
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	486.136465
ΔH_f, kcal/mol:	-171.53
Dipole, Da:	3.49
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](C2=C1C=CC=C2OC)OC(=O)C

DOS

IR

Vibrations