Geometry & MOs

Info

ID:	391944
PubChem CID:	135011181
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	4.23
IP(EA), eV:	-10.01(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-(methoxymethyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations