Geometry & MOs

Info

ID:	397327
PubChem CID:	135030046
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	2.93
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3,3-dimethylisoindol-1-one

Drug info:

PubChemData

Smile

COCCC1=C(C=C(C=C1)O)/C(=C\CO)/C2=CC=CC=C2

DOS

IR

Vibrations