Geometry & MOs

Info

ID:	86512
PubChem CID:	49886447
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	7.2
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-diethoxyphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)CC#N)Br)OC

DOS

IR

Vibrations