Geometry & MOs

Info

ID:	997
PubChem CID:	3646
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-81.94
Dipole, Da:	1.7
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C(=C2C1)OC)OCO3

DOS

IR

Vibrations