Geometry & MOs

Info

ID:	22008
PubChem CID:	594896
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	1.44
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4,7-dimethyl-1H-isoindole

Drug info:

PubChemData

Smile

CC1=C2CN=C(C2=C(C=C1)C)OC

DOS

IR

Vibrations