Geometry & MOs

Info

ID:	267758
PubChem CID:	103588645
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	255.94835
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	2.83
IP(EA), eV:	-9.9(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitrophenoxy)acetonitrile

Drug info:

PubChemData

Smile

CC(C)(CCCOC1=CC(=CC(=C1)[N+](=O)[O-])Br)C#N

DOS

IR

Vibrations