Geometry & MOs

Info

ID:	216674
PubChem CID:	85086593
Reduced:	C11H13 (2)
Stoich.:	A11B13 (2)
Weight, g/mol:	290.04582
ΔH_f, kcal/mol:	47.53
Dipole, Da:	0.4
IP(EA), eV:	-8.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-chloro-2-methyl-3-oxoisoindol-1-ylidene)-2-cyanoacetate

Drug info:

PubChemData

Smile

CC(CC=CC#CC(C)(C)C)CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations