Geometry & MOs

Info

ID:	53556
PubChem CID:	14716626
Reduced:	NO2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	3.14
IP(EA), eV:	-9.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(1,3-dioxoisoindol-2-yl)heptylideneamino] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1CC(=O)N(C1=O)/C(=N/OC(=O)C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations