Geometry & MOs

Info

ID:	388675
PubChem CID:	134989844
Reduced:	SN3O3C4H7 (1)
Stoich.:	AB3C3D4E7 (1)
Weight, g/mol:	225.011205
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	4.57
IP(EA), eV:	-10.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-4,8-dimethylisoquinoline

Drug info:

PubChemData

Smile

CON1C(=CN=N1)S(=O)(=O)C

DOS

IR

Vibrations