Geometry & MOs

Info

ID:	293456
PubChem CID:	117389957
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1CCC=O)OCCO2)Cl

DOS

IR

Vibrations