Geometry & MOs

Info

ID:	373488
PubChem CID:	131316021
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	1.98
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CN1C(=O)CC2=C1C=C(C=C2Br)C(=O)OC

DOS

IR

Vibrations