Geometry & MOs

Info

ID:	24185
PubChem CID:	608324
Reduced:	NOCl2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	214.990469
ΔH_f, kcal/mol:	-5.04
Dipole, Da:	1.34
IP(EA), eV:	-9.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-3-methoxy-1H-isoindole

Drug info:

PubChemData

Smile

COC1=NCC2=CC(=C(C=C21)Cl)Cl

DOS

IR

Vibrations