Geometry & MOs

Info

ID:	6886
PubChem CID:	70391
Reduced:	N2O2H10C15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	250.074228
ΔH_f, kcal/mol:	88.58
Dipole, Da:	2.98
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-oxycyanophenyl)methyl]benzonitrile oxide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC=C(C=C2)C#[N+][O-])C#[N+][O-]

DOS

IR

Vibrations