Geometry & MOs

Info

ID:	295933
PubChem CID:	117547760
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	5.53
IP(EA), eV:	-9.49(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)oxetane-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)O)C2(COC2)C3=CC=CO3

DOS

IR

Vibrations