Geometry & MOs

Info

ID:	86511
PubChem CID:	49886446
Reduced:	BrON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	29.62
Dipole, Da:	5.46
IP(EA), eV:	-9.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2,4-dimethoxyphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C=NN2)C=O)Br

DOS

IR

Vibrations