Geometry & MOs

Info

ID:	268852
PubChem CID:	103601226
Reduced:	BrNO5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	242.037754
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	5.11
IP(EA), eV:	-9.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dichlorophenyl)methyl-methylamino]propanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C=O)Br)[N+](=O)[O-]

DOS

IR

Vibrations