Geometry & MOs

Info

ID:	403447
PubChem CID:	135060326
Reduced:	IN2O3C30H31 (1)
Stoich.:	AB2C3D30E31 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	3.14
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(3-methoxyphenyl)methylidene]-2-(2-nitrophenyl)-5-oxohexanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C3C4=CC=CC=C4N(C3=NC(=C2I)C5=CCCCC5)C(=O)OCC(C)C

DOS

IR

Vibrations