Geometry & MOs

Info

ID:	216901
PubChem CID:	85086947
Reduced:	O6H14C17 (1)
Stoich.:	A6B14C17 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-206.86
Dipole, Da:	3.17
IP(EA), eV:	-9.85(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)-2-methyl-1-oxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O)C

DOS

IR

Vibrations