Geometry & MOs

Info

ID:	45458
PubChem CID:	10513700
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	232.132206
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	5.57
IP(EA), eV:	-9.67(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R)-3-deuterio-4-methylpentan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCC(/C=C/C#N)O

DOS

IR

Vibrations