Geometry & MOs

Info

ID:	375460
PubChem CID:	131529817
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	11.63
Dipole, Da:	4.13
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-bromo-6-hydroxy-3-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(C#N)N)Br

DOS

IR

Vibrations