Geometry & MOs

Info

ID:	4263
PubChem CID:	11070
Reduced:	ClNO4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	275.092436
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	6.77
IP(EA), eV:	-8.68(0.05)
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;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.O.Cl

DOS

IR

Vibrations