Geometry & MOs

Info

ID:	11372
PubChem CID:	114815
Reduced:	ClO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	446.149616
ΔH_f, kcal/mol:	-204.81
Dipole, Da:	6.48
IP(EA), eV:	-8.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-4-propyloxolan-2-one;1-ethenyl-4-methoxybenzene

Drug info:

PubChemData

Smile

CCCC1(COC(=O)C1CC2=CC3=C(C(=C2)Cl)OCO3)O.COC1=CC=C(C=C1)C=C

DOS

IR

Vibrations