Geometry & MOs

Info

ID:	49138
PubChem CID:	11528752
Reduced:	ClNO2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	232.073559
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	3.63
IP(EA), eV:	-8.87(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-propyl-[1,3]dioxolo[4,5-g]isochromen-5-one

Drug info:

PubChemData

Smile

CCCNCC(C1=CC=C(C=C1)O)O.Cl

DOS

IR

Vibrations