Geometry & MOs

Info

ID:	302696
PubChem CID:	124392000
Reduced:	Cl2N3O5H13C22 (1)
Stoich.:	A2B3C5D13E22 (1)
Weight, g/mol:	336.126263
ΔH_f, kcal/mol:	57.37
Dipole, Da:	2.18
IP(EA), eV:	-10.05(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C(=C\C2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl)/C#N

DOS

IR

Vibrations