Geometry & MOs

Info

ID:	266464
PubChem CID:	103567154
Reduced:	NCl2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	265.110279
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	6.97
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations