Geometry & MOs

Info

ID:	293642
PubChem CID:	117394979
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	7.15
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C2=C1OCCO2)C=O)Cl)O

DOS

IR

Vibrations