Geometry & MOs

Info

ID:	372528
PubChem CID:	131299285
Reduced:	NOBr2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	2.27
IP(EA), eV:	-9.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-3-hydroxy-2-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)[C@@H](C2=C(C=CC(=C2O)Br)Br)N

DOS

IR

Vibrations