Geometry & MOs

Info

ID:	293641
PubChem CID:	117394928
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-(2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC(=C(C2=C1OCO2)C=O)Cl

DOS

IR

Vibrations