Geometry & MOs

Info

ID:	220484
PubChem CID:	85195542
Reduced:	IOC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	0.77
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-4a,5,8,8a-tetrahydro-4H-1,3-benzodioxin-5-yl) acetate

Drug info:

PubChemData

Smile

CC(CC(=CI)C)O

DOS

IR

Vibrations