Geometry & MOs

Info

ID:	267756
PubChem CID:	103588433
Reduced:	BrNO5C10H10 (1)
Stoich.:	ABC5D10E10 (1)
Weight, g/mol:	345.9953
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	3.28
IP(EA), eV:	-10.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitrophenoxy)methyl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)O)OC1=CC(=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations