Geometry & MOs

Info

ID:	373088
PubChem CID:	131309679
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	290.87174
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dibromo-4-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1)C=CC=C2Br)C(=O)C

DOS

IR

Vibrations