Geometry & MOs

Info

ID:	414237
PubChem CID:	135087193
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	104.076304
ΔH_f, kcal/mol:	-203.61
Dipole, Da:	3.88
IP(EA), eV:	-9.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tritiooxan-3-ol

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC(=C1)C(=O)OC)O

DOS

IR

Vibrations