Geometry & MOs

Info

ID:	212480
PubChem CID:	81060665
Reduced:	BrSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	258.055991
ΔH_f, kcal/mol:	49.17
Dipole, Da:	4.8
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations