Geometry & MOs

Info

ID:	212418
PubChem CID:	81060482
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	302.00548
ΔH_f, kcal/mol:	1.57
Dipole, Da:	4.17
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC=CC(=C2)COC

DOS

IR

Vibrations