Geometry & MOs

Info

ID:	212419
PubChem CID:	81060485
Reduced:	BrON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	39.26
Dipole, Da:	3.67
IP(EA), eV:	-9.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations