Geometry & MOs

Info

ID:	394813
PubChem CID:	135023847
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	551.93518
ΔH_f, kcal/mol:	-215.85
Dipole, Da:	1.36
IP(EA), eV:	-9.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCO[C@H]([C@H]1CC=CC(=O)O1)[C@@H](C2=CC=CC=C2)OCOC

DOS

IR

Vibrations