Geometry & MOs

Info

ID:	373355
PubChem CID:	131313913
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	4.92
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CCC1=C(OC2=C1C(COC2)N)C#N

DOS

IR

Vibrations