Geometry & MOs

Info

ID:	373147
PubChem CID:	131310717
Reduced:	N2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	290.87174
ΔH_f, kcal/mol:	49.79
Dipole, Da:	5.21
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dibromo-5-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

C1CC(C1)C2=CC(=CC(=C2)C#N)N

DOS

IR

Vibrations