Geometry & MOs

Info

ID:	21760
PubChem CID:	589801
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	1.35
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NCC2=C(C=CC(=C21)C)C

DOS

IR

Vibrations