Geometry & MOs

Info

ID:	407057
PubChem CID:	135079221
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	226.95819
ΔH_f, kcal/mol:	-10.27
Dipole, Da:	4.41
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methoxybenzonitrile oxide

Drug info:

PubChemData

Smile

CC(=O)CO/N=C(/C#N)\C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations