Geometry & MOs

Info

ID:	334322
PubChem CID:	127252874
Reduced:	ClOSN2H17C19 (1)
Stoich.:	ABCD2E17F19 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	19.23
Dipole, Da:	4.28
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CN=CC=C2)C(=O)C3=CC4=C(S3)C=CC=C4Cl

DOS

IR

Vibrations