Geometry & MOs

Info

ID:	212602
PubChem CID:	81061170
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	38.28
Dipole, Da:	4.53
IP(EA), eV:	-9.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations