Geometry & MOs

Info

ID:	293452
PubChem CID:	117389815
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	3.72
IP(EA), eV:	-8.88(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(CC(=O)O)C2CC2)Cl

DOS

IR

Vibrations