Geometry & MOs

Info

ID:	212250
PubChem CID:	81059933
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	39.55
Dipole, Da:	1.97
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexoxy-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=CC=C2Br

DOS

IR

Vibrations