Geometry & MOs

Info

ID:	50364
PubChem CID:	12012887
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	44.85
Dipole, Da:	1.96
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)N1/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3C1=O

DOS

IR

Vibrations