Geometry & MOs

Info

ID:	50366
PubChem CID:	12012890
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	3.88
Dipole, Da:	2.8
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-(dimethylamino)-3-hexylideneisoindol-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations