Geometry & MOs

Info

ID:	375461
PubChem CID:	131529819
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	1.85
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)O)CC(C#N)N)Br

DOS

IR

Vibrations