Geometry & MOs

Info

ID:	293640
PubChem CID:	117394917
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	2.18
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(1-hydroxy-2-methylpropan-2-yl)-1,3-benzodioxole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=C2C(=CC(=C1OC)Cl)OCCCO2

DOS

IR

Vibrations