Geometry & MOs

Info

ID:	50365
PubChem CID:	12012888
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	18.03
Dipole, Da:	5.06
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-butylidene-2-(dimethylamino)isoindol-1-one

Drug info:

PubChemData

Smile

C/C=C/1\C2=CC=CC=C2C(=O)N1N(C)C

DOS

IR

Vibrations