Geometry & MOs

Info

ID:	293644
PubChem CID:	117394982
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-160.43
Dipole, Da:	4.91
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanal

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2(CCC2)C(=O)O)Cl)O)O

DOS

IR

Vibrations