Geometry & MOs

Info

ID:	372293
PubChem CID:	131295653
Reduced:	BrN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	270.00039
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	4.01
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(6-bromo-2,3-dimethoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C(C#N)N)Br

DOS

IR

Vibrations