Geometry & MOs

Info

ID:	399199
PubChem CID:	135038628
Reduced:	O7C13H20 (1)
Stoich.:	A7B13C20 (1)
Weight, g/mol:	205.195626
ΔH_f, kcal/mol:	-322.52
Dipole, Da:	5.22
IP(EA), eV:	-10.62(0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H](C3CC(=O)OC3)O)OC)C

DOS

IR

Vibrations